4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol

C14H17ClF3NO2 — CID 11522673

IUPAC4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2cccc(OC(F)(F)F)c2Cl)CC1
InChIInChI=1S/C14H17ClF3NO2/c1-2-19-8-6-13(20,7-9-19)10-4-3-5-11(12(10)15)21-14(16,17)18/h3-5,20H,2,6-9H2,1H3
InChIKeyIRUSMOBTWJBUIW-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.54
Rot. Bonds3

About 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol

4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol (PubChem CID 11522673) has the molecular formula C14H17ClF3NO2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol
PubChem CID11522673
Molecular FormulaC14H17ClF3NO2
Molecular Weight323.74 g/mol
Exact Mass323.09
IUPAC Name4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2cccc(OC(F)(F)F)c2Cl)CC1
InChIInChI=1S/C14H17ClF3NO2/c1-2-19-8-6-13(20,7-9-19)10-4-3-5-11(12(10)15)21-14(16,17)18/h3-5,20H,2,6-9H2,1H3
InChIKeyIRUSMOBTWJBUIW-UHFFFAOYSA-N
XLogP3.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol (CID 11522673) is 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(c2cccc(OC(F)(F)F)c2Cl)CC1.
What is the InChIKey of 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol?
The InChIKey is IRUSMOBTWJBUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2/c1-2-19-8-6-13(20,7-9-19)10-4-3-5-11(12(10)15)21-14(16,17)18/h3-5,20H,2,6-9H2,1H3.
What are the key properties of 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol?
4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol has a molecular weight of 323.74 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 11522673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).