2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

C14H19NO3 — CID 100667514

IUPAC2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c16-10-14(17)15-8-6-12(7-9-15)11-18-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKeyMYRPFGLGRMNYMP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds4

About 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (PubChem CID 100667514) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
PubChem CID100667514
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c16-10-14(17)15-8-6-12(7-9-15)11-18-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKeyMYRPFGLGRMNYMP-UHFFFAOYSA-N
XLogP1.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
cyclopropylmethoxybenzene
CID 12712156
2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 56818972
2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (CID 100667514) is 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is O=C(CO)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is MYRPFGLGRMNYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-10-14(17)15-8-6-12(7-9-15)11-18-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2.
What are the key properties of 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 100667514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).