1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol

C14H21NO2 — CID 3075805

IUPAC1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
SMILESCc1ccccc1C1CC(O)C(C)(O)CN1C
InChIInChI=1S/C14H21NO2/c1-10-6-4-5-7-11(10)12-8-13(16)14(2,17)9-15(12)3/h4-7,12-13,16-17H,8-9H2,1-3H3
InChIKeyNCLIASQWOHIWQR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.48
Rot. Bonds1

About 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol

1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol (PubChem CID 3075805) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
PubChem CID3075805
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
SMILESCc1ccccc1C1CC(O)C(C)(O)CN1C
InChIInChI=1S/C14H21NO2/c1-10-6-4-5-7-11(10)12-8-13(16)14(2,17)9-15(12)3/h4-7,12-13,16-17H,8-9H2,1-3H3
InChIKeyNCLIASQWOHIWQR-UHFFFAOYSA-N
XLogP1.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-6-(2-methylphenyl)piperidine-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 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol?
The IUPAC name of 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol (CID 3075805) is 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol.
What is the SMILES notation for 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol?
The canonical SMILES for 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is Cc1ccccc1C1CC(O)C(C)(O)CN1C.
What is the InChIKey of 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol?
The InChIKey is NCLIASQWOHIWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-4-5-7-11(10)12-8-13(16)14(2,17)9-15(12)3/h4-7,12-13,16-17H,8-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol?
1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol has a molecular weight of 235.33 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is sourced from PubChem (CID 3075805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).