3-(phenylmethoxymethyl)piperidin-2-one

C13H17NO2 — CID 102941255

IUPAC3-(phenylmethoxymethyl)piperidin-2-one
SMILESO=C1NCCCC1COCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13-12(7-4-8-14-13)10-16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKeyBQYYDRKNKXTWDY-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.73
Rot. Bonds4

About 3-(phenylmethoxymethyl)piperidin-2-one

3-(phenylmethoxymethyl)piperidin-2-one (PubChem CID 102941255) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)piperidin-2-one
PubChem CID102941255
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(phenylmethoxymethyl)piperidin-2-one
SMILESO=C1NCCCC1COCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13-12(7-4-8-14-13)10-16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKeyBQYYDRKNKXTWDY-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(phenylmethoxymethyl)piperidin-2-one 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

(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052
3-(2-phenylethyl)piperidin-2-one
CID 10798202
(3R)-3-(phenylmethoxymethyl)piperazine-2,5-dione
CID 69212263
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
CID 118420758
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
CID 62094325
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one
CID 130283628
3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one
CID 46176677
3-(2-hydroxy-2-phenylethyl)piperidin-2-one
CID 104679238

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)piperidin-2-one?
The IUPAC name of 3-(phenylmethoxymethyl)piperidin-2-one (CID 102941255) is 3-(phenylmethoxymethyl)piperidin-2-one.
What is the SMILES notation for 3-(phenylmethoxymethyl)piperidin-2-one?
The canonical SMILES for 3-(phenylmethoxymethyl)piperidin-2-one is O=C1NCCCC1COCc1ccccc1.
What is the InChIKey of 3-(phenylmethoxymethyl)piperidin-2-one?
The InChIKey is BQYYDRKNKXTWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13-12(7-4-8-14-13)10-16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15).
What are the key properties of 3-(phenylmethoxymethyl)piperidin-2-one?
3-(phenylmethoxymethyl)piperidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)piperidin-2-one is sourced from PubChem (CID 102941255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).