3-(1-methylpiperidin-4-yl)propanoic acid

C9H17NO2 — CID 22056660

IUPAC3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-10-6-4-8(5-7-10)2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPXRPKCZPIPJKJB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds3

About 3-(1-methylpiperidin-4-yl)propanoic acid

3-(1-methylpiperidin-4-yl)propanoic acid (PubChem CID 22056660) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)propanoic acid
PubChem CID22056660
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-10-6-4-8(5-7-10)2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPXRPKCZPIPJKJB-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-methylpiperidin-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-methylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-methylpiperidin-4-yl)propanoic acid (CID 22056660) is 3-(1-methylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)propanoic acid is CN1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)propanoic acid?
The InChIKey is PXRPKCZPIPJKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-6-4-8(5-7-10)2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-(1-methylpiperidin-4-yl)propanoic acid?
3-(1-methylpiperidin-4-yl)propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 22056660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).