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

C21H25NO3 — CID 110886796

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
SMILESCc1ccccc1COc1ccccc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C21H25NO3/c1-16-7-2-3-9-18(16)15-25-20-11-5-4-10-19(20)21(24)22-12-6-8-17(13-22)14-23/h2-5,7,9-11,17,23H,6,8,12-15H2,1H3
InChIKeyXLMKQBUXMHFODV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.42
Rot. Bonds5

About [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone

[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone (PubChem CID 110886796) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
PubChem CID110886796
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
SMILESCc1ccccc1COc1ccccc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C21H25NO3/c1-16-7-2-3-9-18(16)15-25-20-11-5-4-10-19(20)21(24)22-12-6-8-17(13-22)14-23/h2-5,7,9-11,17,23H,6,8,12-15H2,1H3
InChIKeyXLMKQBUXMHFODV-UHFFFAOYSA-N
XLogP3.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110883794
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 112771544
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 119595906
[2-[(2-chlorophenyl)methoxy]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 60525709
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone (CID 110886796) is [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone is Cc1ccccc1COc1ccccc1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone?
The InChIKey is XLMKQBUXMHFODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-7-2-3-9-18(16)15-25-20-11-5-4-10-19(20)21(24)22-12-6-8-17(13-22)14-23/h2-5,7,9-11,17,23H,6,8,12-15H2,1H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone?
[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 110886796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).