3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid

C12H21NO2 — CID 62382698

IUPAC3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid
SMILESC=CC(C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H21NO2/c1-3-10(2)13-8-6-11(7-9-13)4-5-12(14)15/h3,10-11H,1,4-9H2,2H3,(H,14,15)
InChIKeyBFKMTPYNOUHFRD-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.14
Rot. Bonds5

About 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid

3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid (PubChem CID 62382698) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid
PubChem CID62382698
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid
SMILESC=CC(C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H21NO2/c1-3-10(2)13-8-6-11(7-9-13)4-5-12(14)15/h3,10-11H,1,4-9H2,2H3,(H,14,15)
InChIKeyBFKMTPYNOUHFRD-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid 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 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid (CID 62382698) is 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid is C=CC(C)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid?
The InChIKey is BFKMTPYNOUHFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-10(2)13-8-6-11(7-9-13)4-5-12(14)15/h3,10-11H,1,4-9H2,2H3,(H,14,15).
What are the key properties of 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid?
3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-but-3-en-2-ylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 62382698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).