(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol

C19H23NO2 — CID 124835491

IUPAC(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol
SMILESC[C@]1(O)CN(Cc2ccccc2)[C@@H](c2ccccc2)C[C@H]1O
InChIInChI=1S/C19H23NO2/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16/h2-11,17-18,21-22H,12-14H2,1H3/t17-,18-,19+/m1/s1
InChIKeyVAKBKORICCUVPK-QRVBRYPASA-N
MW297.40 g/mol
LogP2.75
Rot. Bonds3

About (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol

(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol (PubChem CID 124835491) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol
PubChem CID124835491
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol
SMILESC[C@]1(O)CN(Cc2ccccc2)[C@@H](c2ccccc2)C[C@H]1O
InChIInChI=1S/C19H23NO2/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16/h2-11,17-18,21-22H,12-14H2,1H3/t17-,18-,19+/m1/s1
InChIKeyVAKBKORICCUVPK-QRVBRYPASA-N
XLogP2.75
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R,6R)-1-benzyl-3-methyl-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

Related Compounds

(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
[(2R,4R,5R)-5-acetyloxy-1-benzyl-5-methyl-2-phenylpiperidin-4-yl] acetate
CID 3051069
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
1-benzyl-4-ethyl-6-phenylpiperidin-3-one
CID 170718651
1-benzyl-2-(4-bromophenyl)piperidin-4-ol
CID 22128023
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
1-benzyl-2-(4-methoxyphenyl)piperidin-4-ol;hydrochloride
CID 158556619
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
[1-benzyl-2-(4-methoxyphenyl)piperidin-4-yl]methanol
CID 154394421
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol?
The IUPAC name of (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol (CID 124835491) is (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol?
The canonical SMILES for (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol is C[C@]1(O)CN(Cc2ccccc2)[C@@H](c2ccccc2)C[C@H]1O.
What is the InChIKey of (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol?
The InChIKey is VAKBKORICCUVPK-QRVBRYPASA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16/h2-11,17-18,21-22H,12-14H2,1H3/t17-,18-,19+/m1/s1.
What are the key properties of (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol?
(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol has a molecular weight of 297.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol is sourced from PubChem (CID 124835491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).