2-piperidin-4-ylethyl butanoate

C11H21NO2 — CID 174737441

IUPAC2-piperidin-4-ylethyl butanoate
SMILESCCCC(=O)OCCC1CCNCC1
InChIInChI=1S/C11H21NO2/c1-2-3-11(13)14-9-6-10-4-7-12-8-5-10/h10,12H,2-9H2,1H3
InChIKeyQHVGWVWETYHDFO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds5

About 2-piperidin-4-ylethyl butanoate

2-piperidin-4-ylethyl butanoate (PubChem CID 174737441) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-piperidin-4-ylethyl butanoate.

Molecular Properties

Compound Name2-piperidin-4-ylethyl butanoate
PubChem CID174737441
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-piperidin-4-ylethyl butanoate
SMILESCCCC(=O)OCCC1CCNCC1
InChIInChI=1S/C11H21NO2/c1-2-3-11(13)14-9-6-10-4-7-12-8-5-10/h10,12H,2-9H2,1H3
InChIKeyQHVGWVWETYHDFO-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-ylethyl propanoate
CID 53408774
2-cyclopentylethyl butanoate
CID 142409115
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
CID 175797428
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
pyrrolidin-3-ylmethyl butanoate
CID 143112520
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride
CID 131858012
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 54603666
9-cyclopropylnonyl butanoate
CID 21445863
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080
4-cycloheptylbutyl butanoate
CID 54174835

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylethyl butanoate?
The IUPAC name of 2-piperidin-4-ylethyl butanoate (CID 174737441) is 2-piperidin-4-ylethyl butanoate.
What is the SMILES notation for 2-piperidin-4-ylethyl butanoate?
The canonical SMILES for 2-piperidin-4-ylethyl butanoate is CCCC(=O)OCCC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylethyl butanoate?
The InChIKey is QHVGWVWETYHDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-11(13)14-9-6-10-4-7-12-8-5-10/h10,12H,2-9H2,1H3.
What are the key properties of 2-piperidin-4-ylethyl butanoate?
2-piperidin-4-ylethyl butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylethyl butanoate is sourced from PubChem (CID 174737441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).