1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile

C13H19F3N2 — CID 64759069

IUPAC1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(N2CCCCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2/c14-13(15,16)11-5-4-6-12(9-11,10-17)18-7-2-1-3-8-18/h11H,1-9H2
InChIKeyGBMYJSBKNUKUIT-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.49
Rot. Bonds1

About 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile

1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile (PubChem CID 64759069) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile
PubChem CID64759069
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(N2CCCCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2/c14-13(15,16)11-5-4-6-12(9-11,10-17)18-7-2-1-3-8-18/h11H,1-9H2
InChIKeyGBMYJSBKNUKUIT-UHFFFAOYSA-N
XLogP3.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-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 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile (CID 64759069) is 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile is N#CC1(N2CCCCC2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The InChIKey is GBMYJSBKNUKUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c14-13(15,16)11-5-4-6-12(9-11,10-17)18-7-2-1-3-8-18/h11H,1-9H2.
What are the key properties of 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 64759069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).