(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone

C14H19NO3 — CID 79672444

IUPAC(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCCC2C)cc1O
InChIInChI=1S/C14H19NO3/c1-10-5-3-4-8-15(10)14(17)11-6-7-13(18-2)12(16)9-11/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyFKUMLOOYLQEYSH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.42
Rot. Bonds2

About (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone

(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 79672444) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID79672444
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCCC2C)cc1O
InChIInChI=1S/C14H19NO3/c1-10-5-3-4-8-15(10)14(17)11-6-7-13(18-2)12(16)9-11/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyFKUMLOOYLQEYSH-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
CID 79673840
(3-hydroxy-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79726071
(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 104629244
(2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 115675000
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95732304
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910845
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
2-azabicyclo[2.2.1]heptan-2-yl-(3-hydroxy-4-methoxyphenyl)methanone
CID 79601259
(3-chloropyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79733149

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone (CID 79672444) is (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCCCC2C)cc1O.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is FKUMLOOYLQEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-3-4-8-15(10)14(17)11-6-7-13(18-2)12(16)9-11/h6-7,9-10,16H,3-5,8H2,1-2H3.
What are the key properties of (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone?
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79672444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).