3-(4-fluorophenyl)piperidine-4-carbonitrile

C12H13FN2 — CID 117167987

IUPAC3-(4-fluorophenyl)piperidine-4-carbonitrile
SMILESN#CC1CCNCC1c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c13-11-3-1-9(2-4-11)12-8-15-6-5-10(12)7-14/h1-4,10,12,15H,5-6,8H2
InChIKeyOJLDZHMWVCWXTQ-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.04
Rot. Bonds1

About 3-(4-fluorophenyl)piperidine-4-carbonitrile

3-(4-fluorophenyl)piperidine-4-carbonitrile (PubChem CID 117167987) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)piperidine-4-carbonitrile
PubChem CID117167987
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name3-(4-fluorophenyl)piperidine-4-carbonitrile
SMILESN#CC1CCNCC1c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c13-11-3-1-9(2-4-11)12-8-15-6-5-10(12)7-14/h1-4,10,12,15H,5-6,8H2
InChIKeyOJLDZHMWVCWXTQ-UHFFFAOYSA-N
XLogP2.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)piperidine-4-carbonitrile 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 3-(4-fluorophenyl)piperidine-4-carbonitrile?
The IUPAC name of 3-(4-fluorophenyl)piperidine-4-carbonitrile (CID 117167987) is 3-(4-fluorophenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)piperidine-4-carbonitrile?
The canonical SMILES for 3-(4-fluorophenyl)piperidine-4-carbonitrile is N#CC1CCNCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)piperidine-4-carbonitrile?
The InChIKey is OJLDZHMWVCWXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-11-3-1-9(2-4-11)12-8-15-6-5-10(12)7-14/h1-4,10,12,15H,5-6,8H2.
What are the key properties of 3-(4-fluorophenyl)piperidine-4-carbonitrile?
3-(4-fluorophenyl)piperidine-4-carbonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 117167987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).