(3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol

C15H19F4NO — CID 70762620

IUPAC(3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2F)CC[C@]1(C)O
InChIInChI=1S/C15H19F4NO/c1-10-8-20(6-5-14(10,2)21)9-11-3-4-12(7-13(11)16)15(17,18)19/h3-4,7,10,21H,5-6,8-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyQSHXXFFIWNIUHN-YGRLFVJLSA-N
MW305.31 g/mol
LogP3.44
Rot. Bonds2

About (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol

(3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol (PubChem CID 70762620) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol
PubChem CID70762620
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name(3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2F)CC[C@]1(C)O
InChIInChI=1S/C15H19F4NO/c1-10-8-20(6-5-14(10,2)21)9-11-3-4-12(7-13(11)16)15(17,18)19/h3-4,7,10,21H,5-6,8-9H2,1-2H3/t10-,14+/m1/s1
InChIKeyQSHXXFFIWNIUHN-YGRLFVJLSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-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,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol (CID 70762620) is (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol is C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2F)CC[C@]1(C)O.
What is the InChIKey of (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol?
The InChIKey is QSHXXFFIWNIUHN-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-10-8-20(6-5-14(10,2)21)9-11-3-4-12(7-13(11)16)15(17,18)19/h3-4,7,10,21H,5-6,8-9H2,1-2H3/t10-,14+/m1/s1.
What are the key properties of (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol has a molecular weight of 305.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 70762620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).