1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol

C17H22N2O — CID 142663954

IUPAC1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1N1C=CC=CC1
InChIInChI=1S/C17H22N2O/c20-17-14-18(13-15-7-3-1-4-8-15)12-9-16(17)19-10-5-2-6-11-19/h1-8,10,16-17,20H,9,11-14H2
InChIKeyFVLHGQJXEUXDBJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.01
Rot. Bonds3

About 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol

1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol (PubChem CID 142663954) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol
PubChem CID142663954
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1N1C=CC=CC1
InChIInChI=1S/C17H22N2O/c20-17-14-18(13-15-7-3-1-4-8-15)12-9-16(17)19-10-5-2-6-11-19/h1-8,10,16-17,20H,9,11-14H2
InChIKeyFVLHGQJXEUXDBJ-UHFFFAOYSA-N
XLogP2.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156517660
(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 118595150
1-benzyl-3-hydroxypiperidine-4-carboxamide
CID 146447166

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol?
The IUPAC name of 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol (CID 142663954) is 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol is OC1CN(Cc2ccccc2)CCC1N1C=CC=CC1.
What is the InChIKey of 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol?
The InChIKey is FVLHGQJXEUXDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17-14-18(13-15-7-3-1-4-8-15)12-9-16(17)19-10-5-2-6-11-19/h1-8,10,16-17,20H,9,11-14H2.
What are the key properties of 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol?
1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol has a molecular weight of 270.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol is sourced from PubChem (CID 142663954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).