4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile

C13H21FN2 — CID 134567227

IUPAC4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile
SMILESCC1(F)CCC(C#N)(N2CCCCC2)CC1
InChIInChI=1S/C13H21FN2/c1-12(14)5-7-13(11-15,8-6-12)16-9-3-2-4-10-16/h2-10H2,1H3
InChIKeyLFHMQZOELPCONC-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.04
Rot. Bonds1

About 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile

4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile (PubChem CID 134567227) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile
PubChem CID134567227
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile
SMILESCC1(F)CCC(C#N)(N2CCCCC2)CC1
InChIInChI=1S/C13H21FN2/c1-12(14)5-7-13(11-15,8-6-12)16-9-3-2-4-10-16/h2-10H2,1H3
InChIKeyLFHMQZOELPCONC-UHFFFAOYSA-N
XLogP3.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-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 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile?
The IUPAC name of 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile (CID 134567227) is 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile is CC1(F)CCC(C#N)(N2CCCCC2)CC1.
What is the InChIKey of 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile?
The InChIKey is LFHMQZOELPCONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-12(14)5-7-13(11-15,8-6-12)16-9-3-2-4-10-16/h2-10H2,1H3.
What are the key properties of 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile?
4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile has a molecular weight of 224.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-piperidin-1-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 134567227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).