2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile

C13H16N2O — CID 24690627

IUPAC2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C13H16N2O/c14-9-11-3-1-2-4-12(11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-8,10H2
InChIKeyCOPODFLYJNEAKS-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.51
Rot. Bonds2

About 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile

2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile (PubChem CID 24690627) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile
PubChem CID24690627
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C13H16N2O/c14-9-11-3-1-2-4-12(11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-8,10H2
InChIKeyCOPODFLYJNEAKS-UHFFFAOYSA-N
XLogP1.51
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile (CID 24690627) is 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile is N#Cc1ccccc1CN1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile?
The InChIKey is COPODFLYJNEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-11-3-1-2-4-12(11)10-15-7-5-13(16)6-8-15/h1-4,13,16H,5-8,10H2.
What are the key properties of 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile?
2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 24690627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).