4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid

C13H13ClF3NO3 — CID 23149797

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H13ClF3NO3/c14-10-2-1-8(7-9(10)13(15,16)17)12(21)3-5-18(6-4-12)11(19)20/h1-2,7,21H,3-6H2,(H,19,20)
InChIKeyJGXXSSCXCDFUNW-UHFFFAOYSA-N
MW323.70 g/mol
LogP3.32
Rot. Bonds1

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid

4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 23149797) has the molecular formula C13H13ClF3NO3 and a molecular weight of 323.70 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
PubChem CID23149797
Molecular FormulaC13H13ClF3NO3
Molecular Weight323.70 g/mol
Exact Mass323.05
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H13ClF3NO3/c14-10-2-1-8(7-9(10)13(15,16)17)12(21)3-5-18(6-4-12)11(19)20/h1-2,7,21H,3-6H2,(H,19,20)
InChIKeyJGXXSSCXCDFUNW-UHFFFAOYSA-N
XLogP3.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-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

Penfluridol
CID 33630
4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol
CID 89107
1-[4,4-Bis[4-(trifluoromethyl)phenyl]butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52917989
1-[4,4-Bis[3-(trifluoromethyl)phenyl]butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52918008
1-[4,4-Bis(3-methylphenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52918009
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol
CID 53324045
1-[5,5-Bis(4-fluorophenyl)pentyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 53325242
1-{4-[4-Chloro-3-(Trifluoromethyl)phenyl]-4-Hydroxypiperidin-1-Yl}-3-Sulfanylpropan-1-One
CID 70789290
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphenyl-propyl)-piperidin-4-ol
CID 44339374
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-isopropyl-cyclohexyl)-piperidin-4-ol
CID 44339423
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-fluoro-benzyl)-piperidin-4-ol
CID 44339500
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-cyclooctylmethyl-piperidin-4-ol
CID 44339576

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid (CID 23149797) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is JGXXSSCXCDFUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3NO3/c14-10-2-1-8(7-9(10)13(15,16)17)12(21)3-5-18(6-4-12)11(19)20/h1-2,7,21H,3-6H2,(H,19,20).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 323.70 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 23149797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).