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

C14H22ClNO2 — CID 3064297

IUPAC(3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride
SMILESCc1ccc([C@@H]2C[C@H](O)[C@@](C)(O)CN2C)cc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-10-4-6-11(7-5-10)12-8-13(16)14(2,17)9-15(12)3;/h4-7,12-13,16-17H,8-9H2,1-3H3;1H/t12-,13-,14-;/m0./s1
InChIKeyUZVACBWBYYWNQT-JKBZPBJLSA-N
MW271.79 g/mol
LogP1.91
Rot. Bonds1

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

(3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride (PubChem CID 3064297) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride
PubChem CID3064297
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride
SMILESCc1ccc([C@@H]2C[C@H](O)[C@@](C)(O)CN2C)cc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-10-4-6-11(7-5-10)12-8-13(16)14(2,17)9-15(12)3;/h4-7,12-13,16-17H,8-9H2,1-3H3;1H/t12-,13-,14-;/m0./s1
InChIKeyUZVACBWBYYWNQT-JKBZPBJLSA-N
XLogP1.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.91
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-(4-methylphenyl)piperidine-3,4-diol;hydrochloride?
The IUPAC name of (3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride (CID 3064297) is (3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride.
What is the SMILES notation for (3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride?
The canonical SMILES for (3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride is Cc1ccc([C@@H]2C[C@H](O)[C@@](C)(O)CN2C)cc1.Cl.
What is the InChIKey of (3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride?
The InChIKey is UZVACBWBYYWNQT-JKBZPBJLSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-10-4-6-11(7-5-10)12-8-13(16)14(2,17)9-15(12)3;/h4-7,12-13,16-17H,8-9H2,1-3H3;1H/t12-,13-,14-;/m0./s1.
What are the key properties of (3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride?
(3S,4S,6S)-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 1.91, 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-(4-methylphenyl)piperidine-3,4-diol;hydrochloride is sourced from PubChem (CID 3064297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).