(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol

C13H19NO2 — CID 3043687

IUPAC(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol
SMILESCN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10/h3-7,11-12,15-16H,8-9H2,1-2H3/t11-,12-,13-/m0/s1
InChIKeyCPDAVIZHKGVASM-AVGNSLFASA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds1

About (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol

(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol (PubChem CID 3043687) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol
PubChem CID3043687
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol
SMILESCN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10/h3-7,11-12,15-16H,8-9H2,1-2H3/t11-,12-,13-/m0/s1
InChIKeyCPDAVIZHKGVASM-AVGNSLFASA-N
XLogP1.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol 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 (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol?
The IUPAC name of (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol (CID 3043687) is (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol is CN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol?
The InChIKey is CPDAVIZHKGVASM-AVGNSLFASA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10/h3-7,11-12,15-16H,8-9H2,1-2H3/t11-,12-,13-/m0/s1.
What are the key properties of (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol?
(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol has a molecular weight of 221.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol is sourced from PubChem (CID 3043687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).