(3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol

C14H18F3NO2 — CID 164695096

IUPAC(3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol
SMILESO[C@@H]1C[C@@H](O)CN(Cc2ccc(CC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)6-10-1-3-11(4-2-10)7-18-8-12(19)5-13(20)9-18/h1-4,12-13,19-20H,5-9H2/t12-,13-/m1/s1
InChIKeyYZGXSWBJSZUTTD-CHWSQXEVSA-N
MW289.30 g/mol
LogP1.72
Rot. Bonds3

About (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol

(3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol (PubChem CID 164695096) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol
PubChem CID164695096
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol
SMILESO[C@@H]1C[C@@H](O)CN(Cc2ccc(CC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)6-10-1-3-11(4-2-10)7-18-8-12(19)5-13(20)9-18/h1-4,12-13,19-20H,5-9H2/t12-,13-/m1/s1
InChIKeyYZGXSWBJSZUTTD-CHWSQXEVSA-N
XLogP1.72
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol?
The IUPAC name of (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol (CID 164695096) is (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol.
What is the SMILES notation for (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol?
The canonical SMILES for (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol is O[C@@H]1C[C@@H](O)CN(Cc2ccc(CC(F)(F)F)cc2)C1.
What is the InChIKey of (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol?
The InChIKey is YZGXSWBJSZUTTD-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)6-10-1-3-11(4-2-10)7-18-8-12(19)5-13(20)9-18/h1-4,12-13,19-20H,5-9H2/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol?
(3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol has a molecular weight of 289.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidine-3,5-diol is sourced from PubChem (CID 164695096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).