4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile

C15H23F3N2 — CID 63362313

IUPAC4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H23F3N2/c1-2-11-5-6-12(9-19)14(8-11)20-7-3-4-13(10-20)15(16,17)18/h11-14H,2-8,10H2,1H3
InChIKeyDCHSFWOCXARPGE-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.98
Rot. Bonds2

About 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile

4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 63362313) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
PubChem CID63362313
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H23F3N2/c1-2-11-5-6-12(9-19)14(8-11)20-7-3-4-13(10-20)15(16,17)18/h11-14H,2-8,10H2,1H3
InChIKeyDCHSFWOCXARPGE-UHFFFAOYSA-N
XLogP3.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]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

Related Compounds

2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 62968579
ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
CID 43291771
2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 43584491
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine
CID 114271796
2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63160347
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propylcyclohexane-1-carbonitrile
CID 63151145
4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102957789
4-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)cyclohexane-1-carbonitrile
CID 107404565
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile (CID 63362313) is 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is DCHSFWOCXARPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-2-11-5-6-12(9-19)14(8-11)20-7-3-4-13(10-20)15(16,17)18/h11-14H,2-8,10H2,1H3.
What are the key properties of 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 288.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 63362313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).