4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol

C20H21ClF3NO2 — CID 16672830

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C20H21ClF3NO2/c21-17-7-6-15(12-16(17)20(22,23)24)19(27)8-10-25(11-9-19)13-18(26)14-4-2-1-3-5-14/h1-7,12,18,26-27H,8-11,13H2
InChIKeyCSTQJPJUMCOHAR-UHFFFAOYSA-N
MW399.84 g/mol
LogP4.38
Rot. Bonds4

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol (PubChem CID 16672830) has the molecular formula C20H21ClF3NO2 and a molecular weight of 399.84 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol
PubChem CID16672830
Molecular FormulaC20H21ClF3NO2
Molecular Weight399.84 g/mol
Exact Mass399.12
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C20H21ClF3NO2/c21-17-7-6-15(12-16(17)20(22,23)24)19(27)8-10-25(11-9-19)13-18(26)14-4-2-1-3-5-14/h1-7,12,18,26-27H,8-11,13H2
InChIKeyCSTQJPJUMCOHAR-UHFFFAOYSA-N
XLogP4.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol (CID 16672830) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol is OC(CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol?
The InChIKey is CSTQJPJUMCOHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3NO2/c21-17-7-6-15(12-16(17)20(22,23)24)19(27)8-10-25(11-9-19)13-18(26)14-4-2-1-3-5-14/h1-7,12,18,26-27H,8-11,13H2.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol has a molecular weight of 399.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-hydroxy-2-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 16672830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).