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

C13H15ClF3NO2 — CID 177308842

IUPAC4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccc(OC(F)(F)F)c(Cl)c2)CC1
InChIInChI=1S/C13H15ClF3NO2/c1-18-6-4-12(19,5-7-18)9-2-3-11(10(14)8-9)20-13(15,16)17/h2-3,8,19H,4-7H2,1H3
InChIKeyQJUXWGNSHWXJTD-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.15
Rot. Bonds2

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

4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol (PubChem CID 177308842) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol
PubChem CID177308842
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC Name4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccc(OC(F)(F)F)c(Cl)c2)CC1
InChIInChI=1S/C13H15ClF3NO2/c1-18-6-4-12(19,5-7-18)9-2-3-11(10(14)8-9)20-13(15,16)17/h2-3,8,19H,4-7H2,1H3
InChIKeyQJUXWGNSHWXJTD-UHFFFAOYSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol (CID 177308842) is 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol is CN1CCC(O)(c2ccc(OC(F)(F)F)c(Cl)c2)CC1.
What is the InChIKey of 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol?
The InChIKey is QJUXWGNSHWXJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c1-18-6-4-12(19,5-7-18)9-2-3-11(10(14)8-9)20-13(15,16)17/h2-3,8,19H,4-7H2,1H3.
What are the key properties of 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol?
4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol has a molecular weight of 309.72 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 177308842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).