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

C16H25NO2 — CID 3075810

IUPAC4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
SMILESCCC1(O)CC(c2ccccc2C)N(C)CC1(C)O
InChIInChI=1S/C16H25NO2/c1-5-16(19)10-14(17(4)11-15(16,3)18)13-9-7-6-8-12(13)2/h6-9,14,18-19H,5,10-11H2,1-4H3
InChIKeyMGEALIGZMGRKRD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.26
Rot. Bonds2

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

4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol (PubChem CID 3075810) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol.

Molecular Properties

Compound Name4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
PubChem CID3075810
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
SMILESCCC1(O)CC(c2ccccc2C)N(C)CC1(C)O
InChIInChI=1S/C16H25NO2/c1-5-16(19)10-14(17(4)11-15(16,3)18)13-9-7-6-8-12(13)2/h6-9,14,18-19H,5,10-11H2,1-4H3
InChIKeyMGEALIGZMGRKRD-UHFFFAOYSA-N
XLogP2.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol?
The IUPAC name of 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol (CID 3075810) is 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol.
What is the SMILES notation for 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol?
The canonical SMILES for 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is CCC1(O)CC(c2ccccc2C)N(C)CC1(C)O.
What is the InChIKey of 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol?
The InChIKey is MGEALIGZMGRKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-16(19)10-14(17(4)11-15(16,3)18)13-9-7-6-8-12(13)2/h6-9,14,18-19H,5,10-11H2,1-4H3.
What are the key properties of 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol?
4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol has a molecular weight of 263.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol is sourced from PubChem (CID 3075810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).