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

C13H13ClF3NO3 — CID 23149889

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H13ClF3NO3/c14-10-3-2-8(6-9(10)13(15,16)17)12(21)4-1-5-18(7-12)11(19)20/h2-3,6,21H,1,4-5,7H2,(H,19,20)
InChIKeyIBYILHQJWZTQID-UHFFFAOYSA-N
MW323.70 g/mol
LogP3.32
Rot. Bonds1

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

3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 23149889) has the molecular formula C13H13ClF3NO3 and a molecular weight of 323.70 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid
PubChem CID23149889
Molecular FormulaC13H13ClF3NO3
Molecular Weight323.70 g/mol
Exact Mass323.05
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H13ClF3NO3/c14-10-3-2-8(6-9(10)13(15,16)17)12(21)4-1-5-18(7-12)11(19)20/h2-3,6,21H,1,4-5,7H2,(H,19,20)
InChIKeyIBYILHQJWZTQID-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

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Related Compounds

4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol
CID 89107
1-{4-[4-Chloro-3-(Trifluoromethyl)phenyl]-4-Hydroxypiperidin-1-Yl}-3-Sulfanylpropan-1-One
CID 70789290
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-cyclooctylmethyl-piperidin-4-ol
CID 44339576
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[5-(4-fluorophenyl)pentyl]piperidin-4-ol
CID 145980875
1-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethanone
CID 142080031
Methyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 134990265
4-[4-Chloro-3-(trifluoromethyl) phenyl]-1-phenethyl-4-piperidinol hydrobromide
CID 162639526
3-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]propanenitrile
CID 164667372
4-(4-Chlorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol
CID 2738519
2-[2-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 6736535
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol
CID 16672830
1-[2-(4-Chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 16677314

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid (CID 23149889) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is IBYILHQJWZTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3NO3/c14-10-3-2-8(6-9(10)13(15,16)17)12(21)4-1-5-18(7-12)11(19)20/h2-3,6,21H,1,4-5,7H2,(H,19,20).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid?
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-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 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 23149889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).