1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile

C10H17FN2 — CID 103993911

IUPAC1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCCF)CC1
InChIInChI=1S/C10H17FN2/c1-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-8H2,1H3
InChIKeyNKYNRNLLINCTNA-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.97
Rot. Bonds3

About 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile

1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 103993911) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile
PubChem CID103993911
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCCF)CC1
InChIInChI=1S/C10H17FN2/c1-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-8H2,1H3
InChIKeyNKYNRNLLINCTNA-UHFFFAOYSA-N
XLogP1.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoropropyl)-4-methylpiperidine-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

Related Compounds

1-(2-Fluoroethyl)piperidine-4-carbonitrile
CID 80602210
1-Tert-butyl-4-fluoropiperidine-4-carbonitrile
CID 89408499
1-Ethyl-4-fluoropiperidine-4-carbonitrile
CID 89409612
4-Fluoro-1-methylpiperidine-4-carbonitrile
CID 89742031
4-Methyl-1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile
CID 103994063
1-(4,4-Dimethylpentyl)-4-fluoro-4-methylpiperidine
CID 117715182
2-(3-Fluoro-4-methylpiperidin-1-yl)acetonitrile
CID 117904745
2-(4-Ethyl-3-fluoropiperidin-1-yl)acetonitrile
CID 117904783
1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbonitrile
CID 117934854
1-(3,3-Dimethylbutyl)-4-fluoro-4-methylpiperidine
CID 118552767
1-(2-Fluoroethyl)-4,4-dimethylpiperidine
CID 122667612
1-(2-Fluoro-2-methylpropyl)-4,4-dimethylpiperidine
CID 126669127

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile (CID 103993911) is 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is NKYNRNLLINCTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-10(9-12)3-7-13(8-4-10)6-2-5-11/h2-8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile?
1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 184.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 103993911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).