3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile

C18H17N3O2 — CID 46958897

IUPAC3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(O)(c3ccccn3)CC2)c1
InChIInChI=1S/C18H17N3O2/c19-13-14-4-3-5-15(12-14)17(22)21-10-7-18(23,8-11-21)16-6-1-2-9-20-16/h1-6,9,12,23H,7-8,10-11H2
InChIKeyYVUHSOSDFIETQV-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.08
Rot. Bonds2

About 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile

3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile (PubChem CID 46958897) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile
PubChem CID46958897
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(O)(c3ccccn3)CC2)c1
InChIInChI=1S/C18H17N3O2/c19-13-14-4-3-5-15(12-14)17(22)21-10-7-18(23,8-11-21)16-6-1-2-9-20-16/h1-6,9,12,23H,7-8,10-11H2
InChIKeyYVUHSOSDFIETQV-UHFFFAOYSA-N
XLogP2.08
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile?
The IUPAC name of 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile (CID 46958897) is 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile.
What is the SMILES notation for 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile?
The canonical SMILES for 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCC(O)(c3ccccn3)CC2)c1.
What is the InChIKey of 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile?
The InChIKey is YVUHSOSDFIETQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-13-14-4-3-5-15(12-14)17(22)21-10-7-18(23,8-11-21)16-6-1-2-9-20-16/h1-6,9,12,23H,7-8,10-11H2.
What are the key properties of 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile?
3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile has a molecular weight of 307.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)benzonitrile is sourced from PubChem (CID 46958897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).