4-(1-benzylpyrrolidin-2-yl)benzonitrile

C18H18N2 — CID 164673724

IUPAC4-(1-benzylpyrrolidin-2-yl)benzonitrile
SMILESN#Cc1ccc(C2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2/c19-13-15-8-10-17(11-9-15)18-7-4-12-20(18)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12,14H2
InChIKeyXZIQTVPZCZDCRF-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.90
Rot. Bonds3

About 4-(1-benzylpyrrolidin-2-yl)benzonitrile

4-(1-benzylpyrrolidin-2-yl)benzonitrile (PubChem CID 164673724) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(1-benzylpyrrolidin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-benzylpyrrolidin-2-yl)benzonitrile
PubChem CID164673724
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-(1-benzylpyrrolidin-2-yl)benzonitrile
SMILESN#Cc1ccc(C2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2/c19-13-15-8-10-17(11-9-15)18-7-4-12-20(18)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12,14H2
InChIKeyXZIQTVPZCZDCRF-UHFFFAOYSA-N
XLogP3.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1-benzylpyrrolidin-2-yl)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902
5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine
CID 102539234
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
CID 61073075
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408270
3-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 95311248
4-[(2-aminopiperidin-1-yl)methyl]benzonitrile
CID 160592003
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 126949716
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolidin-2-yl)benzonitrile?
The IUPAC name of 4-(1-benzylpyrrolidin-2-yl)benzonitrile (CID 164673724) is 4-(1-benzylpyrrolidin-2-yl)benzonitrile.
What is the SMILES notation for 4-(1-benzylpyrrolidin-2-yl)benzonitrile?
The canonical SMILES for 4-(1-benzylpyrrolidin-2-yl)benzonitrile is N#Cc1ccc(C2CCCN2Cc2ccccc2)cc1.
What is the InChIKey of 4-(1-benzylpyrrolidin-2-yl)benzonitrile?
The InChIKey is XZIQTVPZCZDCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c19-13-15-8-10-17(11-9-15)18-7-4-12-20(18)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12,14H2.
What are the key properties of 4-(1-benzylpyrrolidin-2-yl)benzonitrile?
4-(1-benzylpyrrolidin-2-yl)benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrolidin-2-yl)benzonitrile is sourced from PubChem (CID 164673724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).