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

C14H17ClF3NO — CID 11716504

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17ClF3NO/c1-2-19-7-5-13(20,6-8-19)10-3-4-12(15)11(9-10)14(16,17)18/h3-4,9,20H,2,5-8H2,1H3
InChIKeyVLXGFWJJRFTTIN-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.66
Rot. Bonds2

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

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol (PubChem CID 11716504) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol
PubChem CID11716504
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17ClF3NO/c1-2-19-7-5-13(20,6-8-19)10-3-4-12(15)11(9-10)14(16,17)18/h3-4,9,20H,2,5-8H2,1H3
InChIKeyVLXGFWJJRFTTIN-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol (CID 11716504) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol?
The InChIKey is VLXGFWJJRFTTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c1-2-19-7-5-13(20,6-8-19)10-3-4-12(15)11(9-10)14(16,17)18/h3-4,9,20H,2,5-8H2,1H3.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol has a molecular weight of 307.74 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 11716504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).