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

C20H22BrClF3NO — CID 162639526

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide
SMILESBr.OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H21ClF3NO.BrH/c21-18-7-6-16(14-17(18)20(22,23)24)19(26)9-12-25(13-10-19)11-8-15-4-2-1-3-5-15;/h1-7,14,26H,8-13H2;1H
InChIKeySEZYALOFQDWPFO-UHFFFAOYSA-N
MW464.75 g/mol
LogP5.46
Rot. Bonds4

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

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide (PubChem CID 162639526) has the molecular formula C20H22BrClF3NO and a molecular weight of 464.75 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide
PubChem CID162639526
Molecular FormulaC20H22BrClF3NO
Molecular Weight464.75 g/mol
Exact Mass463.05
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide
SMILESBr.OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H21ClF3NO.BrH/c21-18-7-6-16(14-17(18)20(22,23)24)19(26)9-12-25(13-10-19)11-8-15-4-2-1-3-5-15;/h1-7,14,26H,8-13H2;1H
InChIKeySEZYALOFQDWPFO-UHFFFAOYSA-N
XLogP5.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.75
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide (CID 162639526) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide is Br.OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide?
The InChIKey is SEZYALOFQDWPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3NO.BrH/c21-18-7-6-16(14-17(18)20(22,23)24)19(26)9-12-25(13-10-19)11-8-15-4-2-1-3-5-15;/h1-7,14,26H,8-13H2;1H.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)piperidin-4-ol;hydrobromide has a molecular weight of 464.75 g/mol, XLogP of 5.46, 4 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-(2-phenylethyl)piperidin-4-ol;hydrobromide is sourced from PubChem (CID 162639526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).