[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone

C19H21NO3 — CID 110878410

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C19H21NO3/c21-14-15-7-6-12-20(13-15)19(22)17-10-4-5-11-18(17)23-16-8-2-1-3-9-16/h1-5,8-11,15,21H,6-7,12-14H2
InChIKeyLYEXIQZWAACUEV-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.32
Rot. Bonds4

About [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 110878410) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID110878410
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C19H21NO3/c21-14-15-7-6-12-20(13-15)19(22)17-10-4-5-11-18(17)23-16-8-2-1-3-9-16/h1-5,8-11,15,21H,6-7,12-14H2
InChIKeyLYEXIQZWAACUEV-UHFFFAOYSA-N
XLogP3.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)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

N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52808285
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110886796
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90584913
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 163339664

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone (CID 110878410) is [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone is O=C(c1ccccc1Oc1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is LYEXIQZWAACUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-14-15-7-6-12-20(13-15)19(22)17-10-4-5-11-18(17)23-16-8-2-1-3-9-16/h1-5,8-11,15,21H,6-7,12-14H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.32, 4 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-phenoxyphenyl)methanone is sourced from PubChem (CID 110878410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).