1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol

C18H22N2O — CID 104735832

IUPAC1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
SMILESOC1(Cc2cccnc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H22N2O/c21-18(12-17-8-4-10-19-13-17)9-5-11-20(15-18)14-16-6-2-1-3-7-16/h1-4,6-8,10,13,21H,5,9,11-12,14-15H2
InChIKeyUXEYKUDOCFEQEX-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.65
Rot. Bonds4

About 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol

1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol (PubChem CID 104735832) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
PubChem CID104735832
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
SMILESOC1(Cc2cccnc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H22N2O/c21-18(12-17-8-4-10-19-13-17)9-5-11-20(15-18)14-16-6-2-1-3-7-16/h1-4,6-8,10,13,21H,5,9,11-12,14-15H2
InChIKeyUXEYKUDOCFEQEX-UHFFFAOYSA-N
XLogP2.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95502115
(3S)-3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95403155
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154756737
(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92574804
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
8-(pyridin-3-ylmethyl)spiro[4.5]decan-8-ol
CID 114819218
3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155879167
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol (CID 104735832) is 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol is OC1(Cc2cccnc2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol?
The InChIKey is UXEYKUDOCFEQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(12-17-8-4-10-19-13-17)9-5-11-20(15-18)14-16-6-2-1-3-7-16/h1-4,6-8,10,13,21H,5,9,11-12,14-15H2.
What are the key properties of 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol?
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol has a molecular weight of 282.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 104735832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).