4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol

C14H17ClF3NO2 — CID 69462729

IUPAC4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol
SMILESOC1(CCc2cccc(OC(F)(F)F)c2Cl)CCNCC1
InChIInChI=1S/C14H17ClF3NO2/c15-12-10(2-1-3-11(12)21-14(16,17)18)4-5-13(20)6-8-19-9-7-13/h1-3,19-20H,4-9H2
InChIKeyYYSNVBDBQUYZEJ-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.29
Rot. Bonds4

About 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol

4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol (PubChem CID 69462729) has the molecular formula C14H17ClF3NO2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol
PubChem CID69462729
Molecular FormulaC14H17ClF3NO2
Molecular Weight323.74 g/mol
Exact Mass323.09
IUPAC Name4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol
SMILESOC1(CCc2cccc(OC(F)(F)F)c2Cl)CCNCC1
InChIInChI=1S/C14H17ClF3NO2/c15-12-10(2-1-3-11(12)21-14(16,17)18)4-5-13(20)6-8-19-9-7-13/h1-3,19-20H,4-9H2
InChIKeyYYSNVBDBQUYZEJ-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol?
The IUPAC name of 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol (CID 69462729) is 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol?
The canonical SMILES for 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol is OC1(CCc2cccc(OC(F)(F)F)c2Cl)CCNCC1.
What is the InChIKey of 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol?
The InChIKey is YYSNVBDBQUYZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2/c15-12-10(2-1-3-11(12)21-14(16,17)18)4-5-13(20)6-8-19-9-7-13/h1-3,19-20H,4-9H2.
What are the key properties of 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol?
4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol has a molecular weight of 323.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-chloro-3-(trifluoromethoxy)phenyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 69462729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).