1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid

C19H24F3NO2 — CID 21082535

IUPAC1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCCCC2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H24F3NO2/c20-19(21,22)15-7-5-13(6-8-15)16-3-1-2-4-17(16)23-11-9-14(10-12-23)18(24)25/h5-8,14,16-17H,1-4,9-12H2,(H,24,25)
InChIKeyGWOPKYZBFLCMQL-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.53
Rot. Bonds3

About 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid

1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid (PubChem CID 21082535) has the molecular formula C19H24F3NO2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid
PubChem CID21082535
Molecular FormulaC19H24F3NO2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCCCC2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H24F3NO2/c20-19(21,22)15-7-5-13(6-8-15)16-3-1-2-4-17(16)23-11-9-14(10-12-23)18(24)25/h5-8,14,16-17H,1-4,9-12H2,(H,24,25)
InChIKeyGWOPKYZBFLCMQL-UHFFFAOYSA-N
XLogP4.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid 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

4-(3-Benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
CID 44536996
4-Oxo-4-(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)butanoic acid
CID 117607513
1-Benzyl-3,3-difluoropiperidine-4-carboxylic acid hydrochloride
CID 119031492
1-(2-Benzyl-3-phenylpropyl)piperidine-4-carboxylic acid
CID 122035719
4-[methyl-[(2S)-1-(4-methylphenyl)propan-2-yl]amino]butanoic acid
CID 124588033
1-(2-(Trifluoromethyl)benzyl)piperidine-4-carboxylic acid
CID 3425175
1-(3-(Trifluoromethyl)benzyl)piperidine-4-carboxylic acid
CID 3592559
1-[1-(4-Fluorophenyl)ethyl]piperidine-4-carboxylic acid
CID 3966386
1-[4-(Trifluoromethyl)benzyl]-piperidine-4-carboxylic acid
CID 4457853
(3S,4S)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carboxylic acid
CID 21018577
(3S)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carboxylic acid
CID 21018587
1-[2-(4-Fluorophenyl)ethyl]piperidine-4-carboxylic acid
CID 21304006

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid (CID 21082535) is 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C2CCCCC2c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid?
The InChIKey is GWOPKYZBFLCMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO2/c20-19(21,22)15-7-5-13(6-8-15)16-3-1-2-4-17(16)23-11-9-14(10-12-23)18(24)25/h5-8,14,16-17H,1-4,9-12H2,(H,24,25).
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid?
1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 21082535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).