4-(2,6-dimethylpiperidin-1-yl)butanoic acid

C11H21NO2 — CID 20991772

IUPAC4-(2,6-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1CCCC(C)N1CCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-9-5-3-6-10(2)12(9)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyKSDSUUGUVYGRHZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.11
Rot. Bonds4

About 4-(2,6-dimethylpiperidin-1-yl)butanoic acid

4-(2,6-dimethylpiperidin-1-yl)butanoic acid (PubChem CID 20991772) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)butanoic acid
PubChem CID20991772
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)butanoic acid
SMILESCC1CCCC(C)N1CCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-9-5-3-6-10(2)12(9)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyKSDSUUGUVYGRHZ-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,6-dimethylpiperidin-1-yl)butanoic 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-(2,6-dimethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)butanoic acid (CID 20991772) is 4-(2,6-dimethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)butanoic acid is CC1CCCC(C)N1CCCC(=O)O.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)butanoic acid?
The InChIKey is KSDSUUGUVYGRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-5-3-6-10(2)12(9)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)butanoic acid?
4-(2,6-dimethylpiperidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 20991772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).