1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol

C16H25NO2 — CID 3075807

IUPAC1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol
SMILESCc1cc(C)c(C2CC(O)C(C)(O)CN2C)cc1C
InChIInChI=1S/C16H25NO2/c1-10-6-12(3)13(7-11(10)2)14-8-15(18)16(4,19)9-17(14)5/h6-7,14-15,18-19H,8-9H2,1-5H3
InChIKeyUOTKLIXLOARMGK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.10
Rot. Bonds1

About 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol

1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol (PubChem CID 3075807) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol.

Molecular Properties

Compound Name1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol
PubChem CID3075807
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol
SMILESCc1cc(C)c(C2CC(O)C(C)(O)CN2C)cc1C
InChIInChI=1S/C16H25NO2/c1-10-6-12(3)13(7-11(10)2)14-8-15(18)16(4,19)9-17(14)5/h6-7,14-15,18-19H,8-9H2,1-5H3
InChIKeyUOTKLIXLOARMGK-UHFFFAOYSA-N
XLogP2.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol?
The IUPAC name of 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol (CID 3075807) is 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol.
What is the SMILES notation for 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol?
The canonical SMILES for 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol is Cc1cc(C)c(C2CC(O)C(C)(O)CN2C)cc1C.
What is the InChIKey of 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol?
The InChIKey is UOTKLIXLOARMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-6-12(3)13(7-11(10)2)14-8-15(18)16(4,19)9-17(14)5/h6-7,14-15,18-19H,8-9H2,1-5H3.
What are the key properties of 1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol?
1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol has a molecular weight of 263.38 g/mol, XLogP of 2.10, 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-(2,4,5-trimethylphenyl)piperidine-3,4-diol is sourced from PubChem (CID 3075807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).