2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate

C17H25NO2 — CID 587828

IUPAC2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate
SMILESCCC1CCC(C)N(CCOC(=O)c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-3-15-10-9-14(2)18(13-15)11-12-20-17(19)16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3
InChIKeyPEZJJOVZNRWJQW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.35
Rot. Bonds5

About 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate

2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate (PubChem CID 587828) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate
PubChem CID587828
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate
SMILESCCC1CCC(C)N(CCOC(=O)c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-3-15-10-9-14(2)18(13-15)11-12-20-17(19)16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3
InChIKeyPEZJJOVZNRWJQW-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 3,5-dichlorobenzoate
CID 587923
(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
CID 154089606
2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
CID 130427918
2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride
CID 21153796
2-(1-propylpiperidin-2-yl)ethyl benzoate
CID 3060654
(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
CID 95342008
(111C)butyl benzoate
CID 11994383
5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine
CID 125487494
4-O-[2-[4-[(4-ethylcyclohexyl)methoxycarbonyl]benzoyl]oxyethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 54349547
2-benzoyloxyethyl benzoate;ethene
CID 67969171
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate?
The IUPAC name of 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate (CID 587828) is 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate.
What is the SMILES notation for 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate?
The canonical SMILES for 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate is CCC1CCC(C)N(CCOC(=O)c2ccccc2)C1.
What is the InChIKey of 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate?
The InChIKey is PEZJJOVZNRWJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-15-10-9-14(2)18(13-15)11-12-20-17(19)16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate?
2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate has a molecular weight of 275.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate is sourced from PubChem (CID 587828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).