2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

C19H25N3O — CID 92629095

IUPAC2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2cccnc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H25N3O/c23-12-8-19-16-21(14-18-7-4-9-20-13-18)10-11-22(19)15-17-5-2-1-3-6-17/h1-7,9,13,19,23H,8,10-12,14-16H2/t19-/m0/s1
InChIKeySWHJYAQNMHQJLR-IBGZPJMESA-N
MW311.43 g/mol
LogP2.15
Rot. Bonds6

About 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 92629095) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID92629095
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2cccnc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H25N3O/c23-12-8-19-16-21(14-18-7-4-9-20-13-18)10-11-22(19)15-17-5-2-1-3-6-17/h1-7,9,13,19,23H,8,10-12,14-16H2/t19-/m0/s1
InChIKeySWHJYAQNMHQJLR-IBGZPJMESA-N
XLogP2.15
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 45241392
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 70779571
2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 92764868
2-[(2S)-1-benzyl-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51634332
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474
2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45174063
[(4S,9aS)-2-benzyl-4-methyl-8-(pyridin-3-ylmethyl)-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-yl]methanol
CID 124877798
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45172266
5-[2-benzyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]pentanamide
CID 142233572

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (CID 92629095) is 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(Cc2cccnc2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is SWHJYAQNMHQJLR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O/c23-12-8-19-16-21(14-18-7-4-9-20-13-18)10-11-22(19)15-17-5-2-1-3-6-17/h1-7,9,13,19,23H,8,10-12,14-16H2/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 311.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 92629095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).