4-butylpiperidine-4-carboxylic acid

C10H19NO2 — CID 63129712

IUPAC4-butylpiperidine-4-carboxylic acid
SMILESCCCCC1(C(=O)O)CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-3-4-10(9(12)13)5-7-11-8-6-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyRQYKQJWAALDKSC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds4

About 4-butylpiperidine-4-carboxylic acid

4-butylpiperidine-4-carboxylic acid (PubChem CID 63129712) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-butylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-butylpiperidine-4-carboxylic acid
PubChem CID63129712
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-butylpiperidine-4-carboxylic acid
SMILESCCCCC1(C(=O)O)CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-3-4-10(9(12)13)5-7-11-8-6-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyRQYKQJWAALDKSC-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-butylpiperidine-4-carboxylic 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 4-butylpiperidine-4-carboxylic acid?
The IUPAC name of 4-butylpiperidine-4-carboxylic acid (CID 63129712) is 4-butylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-butylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-butylpiperidine-4-carboxylic acid is CCCCC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-butylpiperidine-4-carboxylic acid?
The InChIKey is RQYKQJWAALDKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-10(9(12)13)5-7-11-8-6-10/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-butylpiperidine-4-carboxylic acid?
4-butylpiperidine-4-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63129712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).