2-piperidin-4-ylethyl propanoate

C10H19NO2 — CID 53408774

IUPAC2-piperidin-4-ylethyl propanoate
SMILESCCC(=O)OCCC1CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-10(12)13-8-5-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3
InChIKeyLWJIHDWBYINJKP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds4

About 2-piperidin-4-ylethyl propanoate

2-piperidin-4-ylethyl propanoate (PubChem CID 53408774) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-piperidin-4-ylethyl propanoate.

Molecular Properties

Compound Name2-piperidin-4-ylethyl propanoate
PubChem CID53408774
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-piperidin-4-ylethyl propanoate
SMILESCCC(=O)OCCC1CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-10(12)13-8-5-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3
InChIKeyLWJIHDWBYINJKP-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-4-ylethyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-4-ylethyl butanoate
CID 174737441
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
CID 175797428
propanoyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 174378538
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 54603666
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride
CID 131858012
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
2-(2-cyclopropylethoxy)propyl propanoate
CID 145115500

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylethyl propanoate?
The IUPAC name of 2-piperidin-4-ylethyl propanoate (CID 53408774) is 2-piperidin-4-ylethyl propanoate.
What is the SMILES notation for 2-piperidin-4-ylethyl propanoate?
The canonical SMILES for 2-piperidin-4-ylethyl propanoate is CCC(=O)OCCC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylethyl propanoate?
The InChIKey is LWJIHDWBYINJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-10(12)13-8-5-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-piperidin-4-ylethyl propanoate?
2-piperidin-4-ylethyl propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylethyl propanoate is sourced from PubChem (CID 53408774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).