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

C19H24ClNO2 — CID 3051074

IUPAC(3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride
SMILESC[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)C[C@@H]1O.Cl
InChIInChI=1S/C19H23NO2.ClH/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;1H/t17-,18-,19-;/m0./s1
InChIKeyHKSZUHZGCZFEFN-YOTVLOEGSA-N
MW333.86 g/mol
LogP3.17
Rot. Bonds3

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

(3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride (PubChem CID 3051074) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride
PubChem CID3051074
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name(3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride
SMILESC[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)C[C@@H]1O.Cl
InChIInChI=1S/C19H23NO2.ClH/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;1H/t17-,18-,19-;/m0./s1
InChIKeyHKSZUHZGCZFEFN-YOTVLOEGSA-N
XLogP3.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride?
The IUPAC name of (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride (CID 3051074) is (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride.
What is the SMILES notation for (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride?
The canonical SMILES for (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride is C[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)C[C@@H]1O.Cl.
What is the InChIKey of (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride?
The InChIKey is HKSZUHZGCZFEFN-YOTVLOEGSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/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;1H/t17-,18-,19-;/m0./s1.
What are the key properties of (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride?
(3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol;hydrochloride is sourced from PubChem (CID 3051074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).