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Piperazines

Organic heterocyclic compounds that consist of a six-membered ring with four carbon atoms and two nitrogen atoms at opposite positions in the ring.

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1,4-Diazabicyclo[2.2.2]octane, 97%

CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.17 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2

PubChem CID 9237
CAS 280-57-9
Molecular Weight (g/mol) 112.17
MDL Number MFCD00006689
SMILES C1CN2CCN1CC2
Synonym 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25
IUPAC Name 1,4-diazabicyclo[2.2.2]octane
InChI Key IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula C6H12N2
2
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1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 96%

CAS: 140681-55-6 Molecular Formula: C7H14B2ClF9N2 Molecular Weight (g/mol): 354.26 MDL Number: MFCD00142607 InChI Key: TXRPHPUGYLSHCX-UHFFFAOYSA-N Synonym: selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate PubChem CID: 2724933 IUPAC Name: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2

PubChem CID 2724933
CAS 140681-55-6
Molecular Weight (g/mol) 354.26
MDL Number MFCD00142607
SMILES F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2
Synonym selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate
IUPAC Name 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
InChI Key TXRPHPUGYLSHCX-UHFFFAOYSA-N
Molecular Formula C7H14B2ClF9N2
3
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Thermo Scientific Chemicals Ketoconazole, 98%

CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 531.44 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

PubChem CID 76973198
CAS 65277-42-1
Molecular Weight (g/mol) 531.44
SMILES CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Synonym ketoconazole
IUPAC Name 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChI Key XMAYWYJOQHXEEK-SIULDFEJSA-N
Molecular Formula C26H28Cl2N4O4
4
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N-(2-Hydroxyethyl)piperazine, 98.5%

CAS: 103-76-4 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.19 MDL Number: MFCD00005970 InChI Key: WFCSWCVEJLETKA-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl piperazine,1-piperazineethanol,1-2-hydroxyethyl piperazine,hydroxyethylpiperazine,2-1-piperazinyl ethanol,2-hydroxyethylpiperazine,2-piperazinoethanol,2-piperazin-1-yl ethan-1-ol,1-piperazinethanol,4-2-hydroxyethyl piperazine PubChem CID: 7677 IUPAC Name: 2-piperazin-1-ylethanol SMILES: C1CN(CCN1)CCO

PubChem CID 7677
CAS 103-76-4
Molecular Weight (g/mol) 130.19
MDL Number MFCD00005970
SMILES C1CN(CCN1)CCO
Synonym n-2-hydroxyethyl piperazine,1-piperazineethanol,1-2-hydroxyethyl piperazine,hydroxyethylpiperazine,2-1-piperazinyl ethanol,2-hydroxyethylpiperazine,2-piperazinoethanol,2-piperazin-1-yl ethan-1-ol,1-piperazinethanol,4-2-hydroxyethyl piperazine
IUPAC Name 2-piperazin-1-ylethanol
InChI Key WFCSWCVEJLETKA-UHFFFAOYSA-N
Molecular Formula C6H14N2O
5
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Thermo Scientific Chemicals Itraconazole, 99%

CAS: 84625-61-6 Molecular Formula: C35H38Cl2N8O4 Molecular Weight (g/mol): 705.64 MDL Number: MFCD00870168,MFCD00941396 InChI Key: VHVPQPYKVGDNFY-ZPGVKDDISA-N Synonym: itraconazole-d5,itraconazole,oriconazole-d5,triasporin-d5,sporamelt-d5,itrizole-d5,sporanox-d5,+/--4-4-4-4-2r,4s-2,4-dichlorophenyl-2-1h-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl-1-piperazinyl phenyl-2,4-dihydro-2-1-methylpropyl-d5-3h-1,2,4-triazol-3-one,2h5-4-4-4-4-2-1h-1,2,4-triazol-1-yl methyl-2-2,4-dichlorophenyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1-sec-butyl-1h-1,2,4-triazol-5 4h-one,2-3,3,4,4,4-2 h? butan-2-yl-4-4-4-4-2r,4s-2-2,4-dichlorophenyl-2-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1,2,4-triazol-3-one PubChem CID: 45039617 IUPAC Name: 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one SMILES: CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1

PubChem CID 45039617
CAS 84625-61-6
Molecular Weight (g/mol) 705.64
MDL Number MFCD00870168,MFCD00941396
SMILES CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
Synonym itraconazole-d5,itraconazole,oriconazole-d5,triasporin-d5,sporamelt-d5,itrizole-d5,sporanox-d5,+/--4-4-4-4-2r,4s-2,4-dichlorophenyl-2-1h-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl-1-piperazinyl phenyl-2,4-dihydro-2-1-methylpropyl-d5-3h-1,2,4-triazol-3-one,2h5-4-4-4-4-2-1h-1,2,4-triazol-1-yl methyl-2-2,4-dichlorophenyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1-sec-butyl-1h-1,2,4-triazol-5 4h-one,2-3,3,4,4,4-2 h? butan-2-yl-4-4-4-4-2r,4s-2-2,4-dichlorophenyl-2-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1,2,4-triazol-3-one
IUPAC Name 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
InChI Key VHVPQPYKVGDNFY-ZPGVKDDISA-N
Molecular Formula C35H38Cl2N8O4
6

1-(2-Pyridyl)piperazine, 98%

CAS: 34803-66-2 Molecular Formula: C9H13N3 Molecular Weight (g/mol): 163.22 InChI Key: GZRKXKUVVPSREJ-UHFFFAOYSA-N Synonym: 1-2-pyridyl piperazine,1-pyridin-2-yl piperazine,1-pyridin-2-yl-piperazine,1-2-pyridinyl piperazine,piperazine, 1-2-pyridinyl,2-pyridylpiperazine,pyridinylpiperazine,2-1-piperazinyl pyridine PubChem CID: 94459 IUPAC Name: 1-pyridin-2-ylpiperazine SMILES: C1CN(CCN1)C2=CC=CC=N2

PubChem CID 94459
CAS 34803-66-2
Molecular Weight (g/mol) 163.22
SMILES C1CN(CCN1)C2=CC=CC=N2
Synonym 1-2-pyridyl piperazine,1-pyridin-2-yl piperazine,1-pyridin-2-yl-piperazine,1-2-pyridinyl piperazine,piperazine, 1-2-pyridinyl,2-pyridylpiperazine,pyridinylpiperazine,2-1-piperazinyl pyridine
IUPAC Name 1-pyridin-2-ylpiperazine
InChI Key GZRKXKUVVPSREJ-UHFFFAOYSA-N
Molecular Formula C9H13N3
7

1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 98+%

CAS: 140681-55-6 Molecular Formula: C7H14B2ClF9N2 Molecular Weight (g/mol): 354.26 MDL Number: MFCD00142607 InChI Key: TXRPHPUGYLSHCX-UHFFFAOYSA-N Synonym: selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate PubChem CID: 2724933 IUPAC Name: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2

PubChem CID 2724933
CAS 140681-55-6
Molecular Weight (g/mol) 354.26
MDL Number MFCD00142607
SMILES F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2
Synonym selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate
IUPAC Name 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
InChI Key TXRPHPUGYLSHCX-UHFFFAOYSA-N
Molecular Formula C7H14B2ClF9N2
9

(S)-1-BOC-3-methylpiperazine, 98%, ACROS Organics™

CAS: 147081-29-6 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.282 MDL Number: MFCD02683204 InChI Key: FMLPQHJYUZTHQS-QMMMGPOBSA-N Synonym: s-4-n-boc-2-methylpiperazine,s-4-n-boc-2-methyl piperazine,s-tert-butyl 3-methylpiperazine-1-carboxylate,s-4-boc-2-methylpiperazine,s-1-boc-3-methyl-piperazine,tert-butyl 3s-3-methylpiperazine-1-carboxylate,s-1-boc-3-methylpiperazine,s-4bocmp,4-boc-2-s-methyl-piperazine,s-1-n-boc-3-methylpiperazine PubChem CID: 7023035 IUPAC Name: tert-butyl (3S)-3-methylpiperazine-1-carboxylate SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C

PubChem CID 7023035
CAS 147081-29-6
Molecular Weight (g/mol) 200.282
MDL Number MFCD02683204
SMILES CC1CN(CCN1)C(=O)OC(C)(C)C
Synonym s-4-n-boc-2-methylpiperazine,s-4-n-boc-2-methyl piperazine,s-tert-butyl 3-methylpiperazine-1-carboxylate,s-4-boc-2-methylpiperazine,s-1-boc-3-methyl-piperazine,tert-butyl 3s-3-methylpiperazine-1-carboxylate,s-1-boc-3-methylpiperazine,s-4bocmp,4-boc-2-s-methyl-piperazine,s-1-n-boc-3-methylpiperazine
IUPAC Name tert-butyl (3S)-3-methylpiperazine-1-carboxylate
InChI Key FMLPQHJYUZTHQS-QMMMGPOBSA-N
Molecular Formula C10H20N2O2
11

1-Phenylpiperazine, 97%

CAS: 92-54-6 Molecular Formula: C10H14N2 Molecular Weight (g/mol): 162.24 MDL Number: MFCD00005957 InChI Key: YZTJYBJCZXZGCT-UHFFFAOYSA-N Synonym: phenylpiperazine,n-phenylpiperazine,piperazine, 1-phenyl,1-phenyl-piperazine,n-phenyldiethylenediamine,1-fenylpiperazin czech,unii-j9225cbi7d,n-phenyl piperazine,1-phenyl piperazine,ccris 4334 PubChem CID: 7096 IUPAC Name: 1-phenylpiperazine SMILES: C1CN(CCN1)C2=CC=CC=C2

PubChem CID 7096
CAS 92-54-6
Molecular Weight (g/mol) 162.24
MDL Number MFCD00005957
SMILES C1CN(CCN1)C2=CC=CC=C2
Synonym phenylpiperazine,n-phenylpiperazine,piperazine, 1-phenyl,1-phenyl-piperazine,n-phenyldiethylenediamine,1-fenylpiperazin czech,unii-j9225cbi7d,n-phenyl piperazine,1-phenyl piperazine,ccris 4334
IUPAC Name 1-phenylpiperazine
InChI Key YZTJYBJCZXZGCT-UHFFFAOYSA-N
Molecular Formula C10H14N2