[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate

C14H17NO4 — CID 14033062

IUPAC[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-12-6-8-15(9-7-12)13(17)10-19-14(18)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChIKeyYVWZWRFAFZRJGU-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.83
Rot. Bonds3

About [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate

[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate (PubChem CID 14033062) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate
PubChem CID14033062
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-12-6-8-15(9-7-12)13(17)10-19-14(18)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChIKeyYVWZWRFAFZRJGU-UHFFFAOYSA-N
XLogP0.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate
CID 14033043
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2350843
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] benzoate
CID 2365522
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078989
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 23909728
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2338180
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370489
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate (CID 14033062) is [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate is O=C(OCC(=O)N1CCC(O)CC1)c1ccccc1.
What is the InChIKey of [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate?
The InChIKey is YVWZWRFAFZRJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12-6-8-15(9-7-12)13(17)10-19-14(18)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2.
What are the key properties of [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate?
[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate has a molecular weight of 263.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate is sourced from PubChem (CID 14033062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).