(3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol

C20H24FNO2 — CID 66734926

IUPAC(3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol
SMILESO[C@@H]1[C@H](CF)CN(Cc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C20H24FNO2/c21-11-18-13-22(12-16-7-3-1-4-8-16)14-19(20(18)23)24-15-17-9-5-2-6-10-17/h1-10,18-20,23H,11-15H2/t18-,19-,20-/m1/s1
InChIKeyOLPRZCWOVVEQCM-VAMGGRTRSA-N
MW329.41 g/mol
LogP3.03
Rot. Bonds6

About (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol

(3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol (PubChem CID 66734926) has the molecular formula C20H24FNO2 and a molecular weight of 329.41 g/mol. Its IUPAC name is (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol
PubChem CID66734926
Molecular FormulaC20H24FNO2
Molecular Weight329.41 g/mol
Exact Mass329.18
IUPAC Name(3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol
SMILESO[C@@H]1[C@H](CF)CN(Cc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C20H24FNO2/c21-11-18-13-22(12-16-7-3-1-4-8-16)14-19(20(18)23)24-15-17-9-5-2-6-10-17/h1-10,18-20,23H,11-15H2/t18-,19-,20-/m1/s1
InChIKeyOLPRZCWOVVEQCM-VAMGGRTRSA-N
XLogP3.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol 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 (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol?
The IUPAC name of (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol (CID 66734926) is (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol.
What is the SMILES notation for (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol?
The canonical SMILES for (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol is O[C@@H]1[C@H](CF)CN(Cc2ccccc2)C[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol?
The InChIKey is OLPRZCWOVVEQCM-VAMGGRTRSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-11-18-13-22(12-16-7-3-1-4-8-16)14-19(20(18)23)24-15-17-9-5-2-6-10-17/h1-10,18-20,23H,11-15H2/t18-,19-,20-/m1/s1.
What are the key properties of (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol?
(3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol has a molecular weight of 329.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-1-benzyl-3-(fluoromethyl)-5-phenylmethoxypiperidin-4-ol is sourced from PubChem (CID 66734926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).