(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone

C15H21NO2 — CID 43430151

IUPAC(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCCC1CCCN(C(=O)c2cc(C)ccc2O)C1
InChIInChI=1S/C15H21NO2/c1-3-12-5-4-8-16(10-12)15(18)13-9-11(2)6-7-14(13)17/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeySUXFJYDQBAPAFR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds2

About (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone

(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 43430151) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
PubChem CID43430151
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCCC1CCCN(C(=O)c2cc(C)ccc2O)C1
InChIInChI=1S/C15H21NO2/c1-3-12-5-4-8-16(10-12)15(18)13-9-11(2)6-7-14(13)17/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeySUXFJYDQBAPAFR-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

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Related Compounds

[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
CID 62079849
(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 62045285
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-bromo-5-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 81117928
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228727
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone (CID 43430151) is (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone is CCC1CCCN(C(=O)c2cc(C)ccc2O)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is SUXFJYDQBAPAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12-5-4-8-16(10-12)15(18)13-9-11(2)6-7-14(13)17/h6-7,9,12,17H,3-5,8,10H2,1-2H3.
What are the key properties of (3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone?
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-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-5-methylphenyl)methanone is sourced from PubChem (CID 43430151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).