3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile

C12H14FN3 — CID 117012892

IUPAC3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile
SMILESN#CC1(N)CCCN(c2ccc(F)cc2)C1
InChIInChI=1S/C12H14FN3/c13-10-2-4-11(5-3-10)16-7-1-6-12(15,8-14)9-16/h2-5H,1,6-7,9,15H2
InChIKeyNFVILMYAFHCJDQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.65
Rot. Bonds1

About 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile

3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile (PubChem CID 117012892) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile
PubChem CID117012892
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile
SMILESN#CC1(N)CCCN(c2ccc(F)cc2)C1
InChIInChI=1S/C12H14FN3/c13-10-2-4-11(5-3-10)16-7-1-6-12(15,8-14)9-16/h2-5H,1,6-7,9,15H2
InChIKeyNFVILMYAFHCJDQ-UHFFFAOYSA-N
XLogP1.65
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(4-fluorophenyl)piperidine-3-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-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile?
The IUPAC name of 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile (CID 117012892) is 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile?
The canonical SMILES for 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile is N#CC1(N)CCCN(c2ccc(F)cc2)C1.
What is the InChIKey of 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile?
The InChIKey is NFVILMYAFHCJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-10-2-4-11(5-3-10)16-7-1-6-12(15,8-14)9-16/h2-5H,1,6-7,9,15H2.
What are the key properties of 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile?
3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile has a molecular weight of 219.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluorophenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117012892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).