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

C14H19NO3 — CID 82829162

IUPAC(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc(O)c2C)CC1
InChIInChI=1S/C14H19NO3/c1-10-12(4-3-5-13(10)16)14(17)15-8-6-11(18-2)7-9-15/h3-5,11,16H,6-9H2,1-2H3
InChIKeyXPYNFBRDFNKTEE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds2

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

(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 82829162) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID82829162
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc(O)c2C)CC1
InChIInChI=1S/C14H19NO3/c1-10-12(4-3-5-13(10)16)14(17)15-8-6-11(18-2)7-9-15/h3-5,11,16H,6-9H2,1-2H3
InChIKeyXPYNFBRDFNKTEE-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

2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(3-bromo-2-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533814
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323
(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone
CID 171661899
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
[4-(cyclopropylmethyl)piperazin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829563
[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 62649265
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
(2-bromo-3-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 107982633
[3-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537001
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone (CID 82829162) is (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2cccc(O)c2C)CC1.
What is the InChIKey of (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is XPYNFBRDFNKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-12(4-3-5-13(10)16)14(17)15-8-6-11(18-2)7-9-15/h3-5,11,16H,6-9H2,1-2H3.
What are the key properties of (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
(3-hydroxy-2-methylphenyl)-(4-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 (3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 82829162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).