ethyl 4-piperidin-4-ylbutanoate

C11H21NO2 — CID 10631848

IUPACethyl 4-piperidin-4-ylbutanoate
SMILESCCOC(=O)CCCC1CCNCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)5-3-4-10-6-8-12-9-7-10/h10,12H,2-9H2,1H3
InChIKeyXGABTHFOTUYVMO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds5

About ethyl 4-piperidin-4-ylbutanoate

ethyl 4-piperidin-4-ylbutanoate (PubChem CID 10631848) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 4-piperidin-4-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-piperidin-4-ylbutanoate
PubChem CID10631848
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 4-piperidin-4-ylbutanoate
SMILESCCOC(=O)CCCC1CCNCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)5-3-4-10-6-8-12-9-7-10/h10,12H,2-9H2,1H3
InChIKeyXGABTHFOTUYVMO-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

Analyze ethyl 4-piperidin-4-ylbutanoate 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

ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
ethyl 4-(piperidin-4-ylmethoxy)butanoate
CID 71077908
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
ethyl 4-piperidin-1-ium-4-ylbutanoate
CID 27282174
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
2-piperidin-4-ylethyl butanoate
CID 174737441
ethyl 3-(piperidin-4-ylmethoxy)propanoate
CID 83212316
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204
2-piperidin-4-ylethyl propanoate
CID 53408774
ethyl 4-(1-methylpiperidin-4-yl)butanoate;4-(1-methylpiperidin-4-yl)butan-1-ol
CID 160933937
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
CID 175797428

Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-4-ylbutanoate?
The IUPAC name of ethyl 4-piperidin-4-ylbutanoate (CID 10631848) is ethyl 4-piperidin-4-ylbutanoate.
What is the SMILES notation for ethyl 4-piperidin-4-ylbutanoate?
The canonical SMILES for ethyl 4-piperidin-4-ylbutanoate is CCOC(=O)CCCC1CCNCC1.
What is the InChIKey of ethyl 4-piperidin-4-ylbutanoate?
The InChIKey is XGABTHFOTUYVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11(13)5-3-4-10-6-8-12-9-7-10/h10,12H,2-9H2,1H3.
What are the key properties of ethyl 4-piperidin-4-ylbutanoate?
ethyl 4-piperidin-4-ylbutanoate 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 ethyl 4-piperidin-4-ylbutanoate is sourced from PubChem (CID 10631848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).