3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol

C12H13ClF3NO — CID 19095627

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCNC1
InChIInChI=1S/C12H13ClF3NO/c13-10-3-2-8(6-9(10)12(14,15)16)11(18)4-1-5-17-7-11/h2-3,6,17-18H,1,4-5,7H2
InChIKeyUKVWKJFQNQXUCK-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.93
Rot. Bonds1

About 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol

3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol (PubChem CID 19095627) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol
PubChem CID19095627
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCNC1
InChIInChI=1S/C12H13ClF3NO/c13-10-3-2-8(6-9(10)12(14,15)16)11(18)4-1-5-17-7-11/h2-3,6,17-18H,1,4-5,7H2
InChIKeyUKVWKJFQNQXUCK-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol (CID 19095627) is 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol is OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCCNC1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol?
The InChIKey is UKVWKJFQNQXUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c13-10-3-2-8(6-9(10)12(14,15)16)11(18)4-1-5-17-7-11/h2-3,6,17-18H,1,4-5,7H2.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol?
3-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-ol has a molecular weight of 279.69 g/mol, XLogP of 2.93, 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]piperidin-3-ol is sourced from PubChem (CID 19095627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).