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

C13H20ClNO2 — CID 3051108

IUPAC(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride
SMILESCN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/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;1H/t11-,12-,13-;/m0./s1
InChIKeyQWQHEUUYPURYGS-QKWXXBCPSA-N
MW257.76 g/mol
LogP1.60
Rot. Bonds1

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

(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride (PubChem CID 3051108) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride
PubChem CID3051108
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride
SMILESCN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/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;1H/t11-,12-,13-;/m0./s1
InChIKeyQWQHEUUYPURYGS-QKWXXBCPSA-N
XLogP1.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride?
The IUPAC name of (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride (CID 3051108) is (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride.
What is the SMILES notation for (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride?
The canonical SMILES for (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride is CN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1.Cl.
What is the InChIKey of (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride?
The InChIKey is QWQHEUUYPURYGS-QKWXXBCPSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/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;1H/t11-,12-,13-;/m0./s1.
What are the key properties of (3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride?
(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.60, 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;hydrochloride is sourced from PubChem (CID 3051108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).