(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone

C15H21NO2 — CID 61421459

IUPAC(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
SMILESCCC1CCN(C(=O)c2ccc(C)c(O)c2)CC1
InChIInChI=1S/C15H21NO2/c1-3-12-6-8-16(9-7-12)15(18)13-5-4-11(2)14(17)10-13/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyOPXRUGLNMLBRHF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds2

About (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone

(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone (PubChem CID 61421459) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
PubChem CID61421459
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
SMILESCCC1CCN(C(=O)c2ccc(C)c(O)c2)CC1
InChIInChI=1S/C15H21NO2/c1-3-12-6-8-16(9-7-12)15(18)13-5-4-11(2)14(17)10-13/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyOPXRUGLNMLBRHF-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

[4-(chloromethyl)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63397948
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 65371176
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 114802115
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
[4-(2-bromoethoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 82701331
[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
CID 63213953
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
[3-(dimethylamino)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63528357
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
(3,4-dihydroxyphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107728739

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone (CID 61421459) is (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone is CCC1CCN(C(=O)c2ccc(C)c(O)c2)CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone?
The InChIKey is OPXRUGLNMLBRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12-6-8-16(9-7-12)15(18)13-5-4-11(2)14(17)10-13/h4-5,10,12,17H,3,6-9H2,1-2H3.
What are the key properties of (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone?
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-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 (4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 61421459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).