(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone

C14H19NO3 — CID 103865425

IUPAC(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2ccc(O)cc2C)C1
InChIInChI=1S/C14H19NO3/c1-10-8-11(16)5-6-13(10)14(17)15-7-3-4-12(9-15)18-2/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyFLCMNKGEJKPCSS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds2

About (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone

(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 103865425) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID103865425
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2ccc(O)cc2C)C1
InChIInChI=1S/C14H19NO3/c1-10-8-11(16)5-6-13(10)14(17)15-7-3-4-12(9-15)18-2/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyFLCMNKGEJKPCSS-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103579414
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
(4-bromo-2-sulfanylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 107036874
(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103873477
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(4-hydroxy-2-methylphenyl)methanone
CID 103863739
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone (CID 103865425) is (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2ccc(O)cc2C)C1.
What is the InChIKey of (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is FLCMNKGEJKPCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-8-11(16)5-6-13(10)14(17)15-7-3-4-12(9-15)18-2/h5-6,8,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone?
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103865425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).