ethyl 4-piperidin-1-ium-4-ylbutanoate

C11H22NO2+ — CID 27282174

IUPACethyl 4-piperidin-1-ium-4-ylbutanoate
SMILESCCOC(=O)CCCC1CC[NH2+]CC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)5-3-4-10-6-8-12-9-7-10/h10,12H,2-9H2,1H3/p+1
InChIKeyXGABTHFOTUYVMO-UHFFFAOYSA-O
MW200.30 g/mol
LogP0.69
Rot. Bonds5

About ethyl 4-piperidin-1-ium-4-ylbutanoate

ethyl 4-piperidin-1-ium-4-ylbutanoate (PubChem CID 27282174) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is ethyl 4-piperidin-1-ium-4-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-piperidin-1-ium-4-ylbutanoate
PubChem CID27282174
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Nameethyl 4-piperidin-1-ium-4-ylbutanoate
SMILESCCOC(=O)CCCC1CC[NH2+]CC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)5-3-4-10-6-8-12-9-7-10/h10,12H,2-9H2,1H3/p+1
InChIKeyXGABTHFOTUYVMO-UHFFFAOYSA-O
XLogP0.69
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 4-piperidin-1-ium-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 4-piperidin-4-ylbutanoate
CID 10631848
ethyl 4-(1-methylpiperidin-4-yl)butanoate;4-(1-methylpiperidin-4-yl)butan-1-ol
CID 160933937
ethyl 6-cyclohexyl-3-oxohexanoate
CID 101146928
diethyl hexanedioate
CID 160747628
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
butyl 4-cyclopentylbutanoate
CID 175866077
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
4-cyclopropylbutyl 4-cyclopropylbutanoate
CID 22905862
diethyl icosanedioate
CID 5058538
ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate
CID 162013129
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
ethyl 4-[4-(4-pentylcyclohexyl)phenyl]butanoate
CID 138529185

Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-1-ium-4-ylbutanoate?
The IUPAC name of ethyl 4-piperidin-1-ium-4-ylbutanoate (CID 27282174) is ethyl 4-piperidin-1-ium-4-ylbutanoate.
What is the SMILES notation for ethyl 4-piperidin-1-ium-4-ylbutanoate?
The canonical SMILES for ethyl 4-piperidin-1-ium-4-ylbutanoate is CCOC(=O)CCCC1CC[NH2+]CC1.
What is the InChIKey of ethyl 4-piperidin-1-ium-4-ylbutanoate?
The InChIKey is XGABTHFOTUYVMO-UHFFFAOYSA-O. 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/p+1.
What are the key properties of ethyl 4-piperidin-1-ium-4-ylbutanoate?
ethyl 4-piperidin-1-ium-4-ylbutanoate has a molecular weight of 200.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperidin-1-ium-4-ylbutanoate is sourced from PubChem (CID 27282174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).