[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate

C16H21NO4 — CID 5192370

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C16H21NO4/c1-11-6-5-7-12(2)17(11)15(19)10-21-16(20)13-8-3-4-9-14(13)18/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3
InChIKeyPEXJGMOQDLTTIK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.34
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 5192370) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID5192370
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C16H21NO4/c1-11-6-5-7-12(2)17(11)15(19)10-21-16(20)13-8-3-4-9-14(13)18/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3
InChIKeyPEXJGMOQDLTTIK-UHFFFAOYSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate (CID 5192370) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate is CC1CCCC(C)N1C(=O)COC(=O)c1ccccc1O.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is PEXJGMOQDLTTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-6-5-7-12(2)17(11)15(19)10-21-16(20)13-8-3-4-9-14(13)18/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 291.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 5192370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).