[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate

C16H21NO4 — CID 5015747

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H21NO4/c1-11-4-3-5-12(2)17(11)15(19)10-21-16(20)13-6-8-14(18)9-7-13/h6-9,11-12,18H,3-5,10H2,1-2H3
InChIKeyVNOKFAABESUVFR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.34
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 5015747) 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] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID5015747
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H21NO4/c1-11-4-3-5-12(2)17(11)15(19)10-21-16(20)13-6-8-14(18)9-7-13/h6-9,11-12,18H,3-5,10H2,1-2H3
InChIKeyVNOKFAABESUVFR-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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Related Compounds

Emiglitate
CID 72004
4-(2-Piperidinoethoxy)benzoic acid hydrochloride
CID 5743835
(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
4-Hydroxy-benzoic acid 2-morpholin-4-yl-ethyl ester
CID 825035
p-Hydroxybenzoylcholine
CID 151252
[2-(Benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2352506
(2-Morpholin-4-yl-2-oxoethyl) 4-hydroxybenzoate
CID 2432955
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
Ethyl 4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 2457356
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 4607377
2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl 2,4-dihydroxybenzoate
CID 4845736
Methyl 4-[2-(cycloheptylamino)-2-oxoethoxy]benzoate
CID 6459430

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate (CID 5015747) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate is CC1CCCC(C)N1C(=O)COC(=O)c1ccc(O)cc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is VNOKFAABESUVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-4-3-5-12(2)17(11)15(19)10-21-16(20)13-6-8-14(18)9-7-13/h6-9,11-12,18H,3-5,10H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-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] 4-hydroxybenzoate is sourced from PubChem (CID 5015747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).