1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine

C146H238ClF4N35O4 — CID 157317039

IUPAC1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2ccc(F)cn2)CC1.CC(C)N1CCN(Cc2ccncc2F)CC1.CC(C)N1CCN(Cc2cn(C)cn2)CC1.CC(C)N1CCN(Cc2cncc(Cl)c2)CC1.CC(C)N1CCN(Cc2cncc(F)c2)CC1.CC(C)N1CCN(Cc2ncccc2F)CC1.COc1cc(CN2CCN(C(C)C)CC2)ccn1.COc1cccc(CN2CCN(C(C)C)CC2)n1.COc1cncc(CN2CCN(C(C)C)CC2)c1.COc1ncccc1CN1CCN(C(C)C)CC1.Cc1c(CN2CCN(C(C)C)CC2)cnn1C
InChIInChI=1S/4C14H23N3O.C13H20ClN3.4C13H20FN3.C13H24N4.C12H22N4/c1-12(2)17-6-4-16(5-7-17)11-13-8-14(18-3)10-15-9-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-15-14(10-13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-15-14(13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-14(15-13)18-3;2*1-11(2)17-5-3-16(4-6-17)10-12-7-13(14)9-15-8-12;1-11(2)17-7-5-16(6-8-17)10-12-3-4-15-9-13(12)14;1-11(2)17-7-5-16(6-8-17)10-13-4-3-12(14)9-15-13;1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13;1-11(2)17-7-5-16(6-8-17)10-13-9-14-15(4)12(13)3;1-11(2)16-6-4-15(5-7-16)9-12-8-14(3)10-13-12/h8-10,12H,4-7,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;2*4-6,12H,7-11H2,1-3H3;2*7-9,11H,3-6,10H2,1-2H3;2*3-4,9,11H,5-8,10H2,1-2H3;3-5,11H,6-10H2,1-2H3;9,11H,5-8,10H2,1-4H3;8,10-11H,4-7,9H2,1-3H3
InChIKeyBDSIRZZEOFXIEU-UHFFFAOYSA-N
MW2659.20 g/mol
LogP17.91
Rot. Bonds37

About 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine

1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 157317039) has the molecular formula C146H238ClF4N35O4 and a molecular weight of 2659.20 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID157317039
Molecular FormulaC146H238ClF4N35O4
Molecular Weight2659.20 g/mol
Exact Mass2656.91
IUPAC Name1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2ccc(F)cn2)CC1.CC(C)N1CCN(Cc2ccncc2F)CC1.CC(C)N1CCN(Cc2cn(C)cn2)CC1.CC(C)N1CCN(Cc2cncc(Cl)c2)CC1.CC(C)N1CCN(Cc2cncc(F)c2)CC1.CC(C)N1CCN(Cc2ncccc2F)CC1.COc1cc(CN2CCN(C(C)C)CC2)ccn1.COc1cccc(CN2CCN(C(C)C)CC2)n1.COc1cncc(CN2CCN(C(C)C)CC2)c1.COc1ncccc1CN1CCN(C(C)C)CC1.Cc1c(CN2CCN(C(C)C)CC2)cnn1C
InChIInChI=1S/4C14H23N3O.C13H20ClN3.4C13H20FN3.C13H24N4.C12H22N4/c1-12(2)17-6-4-16(5-7-17)11-13-8-14(18-3)10-15-9-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-15-14(10-13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-15-14(13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-14(15-13)18-3;2*1-11(2)17-5-3-16(4-6-17)10-12-7-13(14)9-15-8-12;1-11(2)17-7-5-16(6-8-17)10-12-3-4-15-9-13(12)14;1-11(2)17-7-5-16(6-8-17)10-13-4-3-12(14)9-15-13;1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13;1-11(2)17-7-5-16(6-8-17)10-13-9-14-15(4)12(13)3;1-11(2)16-6-4-15(5-7-16)9-12-8-14(3)10-13-12/h8-10,12H,4-7,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;2*4-6,12H,7-11H2,1-3H3;2*7-9,11H,3-6,10H2,1-2H3;2*3-4,9,11H,5-8,10H2,1-2H3;3-5,11H,6-10H2,1-2H3;9,11H,5-8,10H2,1-4H3;8,10-11H,4-7,9H2,1-3H3
InChIKeyBDSIRZZEOFXIEU-UHFFFAOYSA-N
XLogP17.91
TPSA259.85 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds37
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002659.20
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

US10112942, Example 556
CID 134436608
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3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine
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5-Chloro-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-chloro-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;5-chloro-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine;5-methoxy-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-methyl-5-(1-propan-2-ylazetidin-3-yl)oxypyrazole;2-(3-methyl-1-propan-2-ylazetidin-3-yl)oxypyridine;3-methyl-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;5-methyl-2-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-(1-propan-2-ylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine
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1-benzyl-2-(2-methylpropyl)imidazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2-methylpropyl)pyrazole;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine
CID 158985653
5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;4-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylpyrazine;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159257936
1-Benzyl-2-(2-methylpropyl)imidazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)-3-methoxypyridine;2-(2,2-dimethylpropyl)-5-methylpyrazine;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;3-fluoro-2-(2-methylpropyl)pyridine;methane
CID 160051843
2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
CID 160307021
2-(1-Tert-butyl-4-methylpyrrolidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;2-(difluoromethoxy)-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methyl-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-(1-propan-2-ylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine
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1-benzyl-2-(2-methylpropyl)imidazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2-methylpropyl)pyrazole;1-(difluoromethyl)-3-(2-methylpropyl)pyrazole;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine
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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine (CID 157317039) is 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(Cc2ccc(F)cn2)CC1.CC(C)N1CCN(Cc2ccncc2F)CC1.CC(C)N1CCN(Cc2cn(C)cn2)CC1.CC(C)N1CCN(Cc2cncc(Cl)c2)CC1.CC(C)N1CCN(Cc2cncc(F)c2)CC1.CC(C)N1CCN(Cc2ncccc2F)CC1.COc1cc(CN2CCN(C(C)C)CC2)ccn1.COc1cccc(CN2CCN(C(C)C)CC2)n1.COc1cncc(CN2CCN(C(C)C)CC2)c1.COc1ncccc1CN1CCN(C(C)C)CC1.Cc1c(CN2CCN(C(C)C)CC2)cnn1C.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is BDSIRZZEOFXIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H23N3O.C13H20ClN3.4C13H20FN3.C13H24N4.C12H22N4/c1-12(2)17-6-4-16(5-7-17)11-13-8-14(18-3)10-15-9-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-15-14(10-13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-15-14(13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-14(15-13)18-3;2*1-11(2)17-5-3-16(4-6-17)10-12-7-13(14)9-15-8-12;1-11(2)17-7-5-16(6-8-17)10-12-3-4-15-9-13(12)14;1-11(2)17-7-5-16(6-8-17)10-13-4-3-12(14)9-15-13;1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13;1-11(2)17-7-5-16(6-8-17)10-13-9-14-15(4)12(13)3;1-11(2)16-6-4-15(5-7-16)9-12-8-14(3)10-13-12/h8-10,12H,4-7,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;2*4-6,12H,7-11H2,1-3H3;2*7-9,11H,3-6,10H2,1-2H3;2*3-4,9,11H,5-8,10H2,1-2H3;3-5,11H,6-10H2,1-2H3;9,11H,5-8,10H2,1-4H3;8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine?
1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 2659.20 g/mol, XLogP of 17.91, 37 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 157317039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).