[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone

C15H21NO3 — CID 43421310

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCCCC1CO
InChIInChI=1S/C15H21NO3/c1-11-6-7-14(19-2)13(9-11)15(18)16-8-4-3-5-12(16)10-17/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyACLJWQLYECQUHI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.99
Rot. Bonds3

About [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 43421310) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID43421310
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCCCC1CO
InChIInChI=1S/C15H21NO3/c1-11-6-7-14(19-2)13(9-11)15(18)16-8-4-3-5-12(16)10-17/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyACLJWQLYECQUHI-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(chloromethyl)azepan-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116639025
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
[2-(hydroxymethyl)azepan-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 116637955
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 79027800
[2-(hydroxymethyl)azepan-1-yl]-[4-methyl-2-(methylamino)phenyl]methanone
CID 116637899
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80659468
(2-methoxy-4-methylphenyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 96574706
(2-amino-4,5-dimethoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210017
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421409

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone (CID 43421310) is [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is ACLJWQLYECQUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-6-7-14(19-2)13(9-11)15(18)16-8-4-3-5-12(16)10-17/h6-7,9,12,17H,3-5,8,10H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 43421310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).