3-(1-butan-2-ylpiperidin-4-yl)propanoic acid

C12H23NO2 — CID 62217527

IUPAC3-(1-butan-2-ylpiperidin-4-yl)propanoic acid
SMILESCCC(C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-3-10(2)13-8-6-11(7-9-13)4-5-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyVDJIRFXSRHJFRQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds5

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

3-(1-butan-2-ylpiperidin-4-yl)propanoic acid (PubChem CID 62217527) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(1-butan-2-ylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-butan-2-ylpiperidin-4-yl)propanoic acid
PubChem CID62217527
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(1-butan-2-ylpiperidin-4-yl)propanoic acid
SMILESCCC(C)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-3-10(2)13-8-6-11(7-9-13)4-5-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyVDJIRFXSRHJFRQ-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-butan-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-butan-2-ylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-butan-2-ylpiperidin-4-yl)propanoic acid (CID 62217527) is 3-(1-butan-2-ylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-butan-2-ylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-butan-2-ylpiperidin-4-yl)propanoic acid is CCC(C)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(1-butan-2-ylpiperidin-4-yl)propanoic acid?
The InChIKey is VDJIRFXSRHJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10(2)13-8-6-11(7-9-13)4-5-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-(1-butan-2-ylpiperidin-4-yl)propanoic acid?
3-(1-butan-2-ylpiperidin-4-yl)propanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butan-2-ylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 62217527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).