ethyl 2-(1-butylpiperidin-3-yl)acetate

C13H25NO2 — CID 54131124

IUPACethyl 2-(1-butylpiperidin-3-yl)acetate
SMILESCCCCN1CCCC(CC(=O)OCC)C1
InChIInChI=1S/C13H25NO2/c1-3-5-8-14-9-6-7-12(11-14)10-13(15)16-4-2/h12H,3-11H2,1-2H3
InChIKeyNULLUEAEJBRJTA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds6

About ethyl 2-(1-butylpiperidin-3-yl)acetate

ethyl 2-(1-butylpiperidin-3-yl)acetate (PubChem CID 54131124) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-(1-butylpiperidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-butylpiperidin-3-yl)acetate
PubChem CID54131124
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-(1-butylpiperidin-3-yl)acetate
SMILESCCCCN1CCCC(CC(=O)OCC)C1
InChIInChI=1S/C13H25NO2/c1-3-5-8-14-9-6-7-12(11-14)10-13(15)16-4-2/h12H,3-11H2,1-2H3
InChIKeyNULLUEAEJBRJTA-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(1-butylpiperidin-3-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-butylpiperidin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-butylpiperidin-3-yl)acetate (CID 54131124) is ethyl 2-(1-butylpiperidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-butylpiperidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-butylpiperidin-3-yl)acetate is CCCCN1CCCC(CC(=O)OCC)C1.
What is the InChIKey of ethyl 2-(1-butylpiperidin-3-yl)acetate?
The InChIKey is NULLUEAEJBRJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-8-14-9-6-7-12(11-14)10-13(15)16-4-2/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 2-(1-butylpiperidin-3-yl)acetate?
ethyl 2-(1-butylpiperidin-3-yl)acetate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-butylpiperidin-3-yl)acetate is sourced from PubChem (CID 54131124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).