2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone

C14H19NO3 — CID 56829037

IUPAC2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CCCC(O)C2)c1
InChIInChI=1S/C14H19NO3/c1-18-13-6-2-4-11(8-13)14(17)10-15-7-3-5-12(16)9-15/h2,4,6,8,12,16H,3,5,7,9-10H2,1H3
InChIKeyVTKLZUVAFPBYNW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone

2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone (PubChem CID 56829037) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
PubChem CID56829037
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CCCC(O)C2)c1
InChIInChI=1S/C14H19NO3/c1-18-13-6-2-4-11(8-13)14(17)10-15-7-3-5-12(16)9-15/h2,4,6,8,12,16H,3,5,7,9-10H2,1H3
InChIKeyVTKLZUVAFPBYNW-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60680649
2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56828695
2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 121200257
2-(3-hydroxypiperidin-1-yl)-1-(3-nitrophenyl)ethanone
CID 62036971
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
1-(3-hydroxypiperidin-1-yl)-3-(3-methoxyphenyl)but-2-en-1-one
CID 111911916
4-[2-(3-methoxyphenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82121920
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220971
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone (CID 56829037) is 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CN2CCCC(O)C2)c1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The InChIKey is VTKLZUVAFPBYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-6-2-4-11(8-13)14(17)10-15-7-3-5-12(16)9-15/h2,4,6,8,12,16H,3,5,7,9-10H2,1H3.
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone?
2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 56829037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).