[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone

C20H21NO3 — CID 110886887

IUPAC[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C20H21NO3/c22-14-15-7-6-12-21(13-15)20(24)18-11-5-4-10-17(18)19(23)16-8-2-1-3-9-16/h1-5,8-11,15,22H,6-7,12-14H2
InChIKeyVNPDHOMHOOTIPM-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.76
Rot. Bonds4

About [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone

[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 110886887) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID110886887
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C20H21NO3/c22-14-15-7-6-12-21(13-15)20(24)18-11-5-4-10-17(18)19(23)16-8-2-1-3-9-16/h1-5,8-11,15,22H,6-7,12-14H2
InChIKeyVNPDHOMHOOTIPM-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
phenyl-[2-(3-phenylazepane-1-carbonyl)phenyl]methanone
CID 121130874
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
tert-butyl N-[[1-(2-benzoylbenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 60587387
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540

Frequently Asked Questions

What is the IUPAC name of [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone (CID 110886887) is [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is VNPDHOMHOOTIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-14-15-7-6-12-21(13-15)20(24)18-11-5-4-10-17(18)19(23)16-8-2-1-3-9-16/h1-5,8-11,15,22H,6-7,12-14H2.
What are the key properties of [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone?
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 323.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 110886887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).