2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile

C19H20N2O — CID 18669356

IUPAC2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1CC1CCNCC1
InChIInChI=1S/C19H20N2O/c20-14-17-6-2-4-8-19(17)22-18-7-3-1-5-16(18)13-15-9-11-21-12-10-15/h1-8,15,21H,9-13H2
InChIKeyIFLKJNRBPLFYGN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.89
Rot. Bonds4

About 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile

2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile (PubChem CID 18669356) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile
PubChem CID18669356
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1CC1CCNCC1
InChIInChI=1S/C19H20N2O/c20-14-17-6-2-4-8-19(17)22-18-7-3-1-5-16(18)13-15-9-11-21-12-10-15/h1-8,15,21H,9-13H2
InChIKeyIFLKJNRBPLFYGN-UHFFFAOYSA-N
XLogP3.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile?
The IUPAC name of 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile (CID 18669356) is 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile is N#Cc1ccccc1Oc1ccccc1CC1CCNCC1.
What is the InChIKey of 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile?
The InChIKey is IFLKJNRBPLFYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c20-14-17-6-2-4-8-19(17)22-18-7-3-1-5-16(18)13-15-9-11-21-12-10-15/h1-8,15,21H,9-13H2.
What are the key properties of 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile?
2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile has a molecular weight of 292.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile is sourced from PubChem (CID 18669356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).