(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone

C15H21NO2 — CID 43430135

IUPAC(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCCC1CCCN(C(=O)c2cccc(C)c2O)C1
InChIInChI=1S/C15H21NO2/c1-3-12-7-5-9-16(10-12)15(18)13-8-4-6-11(2)14(13)17/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3
InChIKeyYNOYWQRSEQSBRE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds2

About (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone

(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 43430135) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
PubChem CID43430135
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCCC1CCCN(C(=O)c2cccc(C)c2O)C1
InChIInChI=1S/C15H21NO2/c1-3-12-7-5-9-16(10-12)15(18)13-8-4-6-11(2)14(13)17/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3
InChIKeyYNOYWQRSEQSBRE-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103746374
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
(2,3-dimethylphenyl)-[3-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122132317
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61203294
(4-ethylazepan-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103674673
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone (CID 43430135) is (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone is CCC1CCCN(C(=O)c2cccc(C)c2O)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is YNOYWQRSEQSBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12-7-5-9-16(10-12)15(18)13-8-4-6-11(2)14(13)17/h4,6,8,12,17H,3,5,7,9-10H2,1-2H3.
What are the key properties of (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 43430135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).