1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone

C15H21NO2 — CID 79601097

IUPAC1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C)CC2C)cc1O
InChIInChI=1S/C15H21NO2/c1-10-6-7-16(11(2)8-10)13-4-5-14(12(3)17)15(18)9-13/h4-5,9-11,18H,6-8H2,1-3H3
InChIKeySSVGYNAZCWQVRF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.22
Rot. Bonds2

About 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone

1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone (PubChem CID 79601097) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone
PubChem CID79601097
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C)CC2C)cc1O
InChIInChI=1S/C15H21NO2/c1-10-6-7-16(11(2)8-10)13-4-5-14(12(3)17)15(18)9-13/h4-5,9-11,18H,6-8H2,1-3H3
InChIKeySSVGYNAZCWQVRF-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone 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-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone (CID 79601097) is 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(N2CCC(C)CC2C)cc1O.
What is the InChIKey of 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone?
The InChIKey is SSVGYNAZCWQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-7-16(11(2)8-10)13-4-5-14(12(3)17)15(18)9-13/h4-5,9-11,18H,6-8H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone?
1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 79601097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).