4-(3-propoxypropyl)piperidine-2-carboxylic acid

C12H23NO3 — CID 18446267

IUPAC4-(3-propoxypropyl)piperidine-2-carboxylic acid
SMILESCCCOCCCC1CCNC(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-2-7-16-8-3-4-10-5-6-13-11(9-10)12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyCHUDZOVFCCYJIX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.65
Rot. Bonds7

About 4-(3-propoxypropyl)piperidine-2-carboxylic acid

4-(3-propoxypropyl)piperidine-2-carboxylic acid (PubChem CID 18446267) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(3-propoxypropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-propoxypropyl)piperidine-2-carboxylic acid
PubChem CID18446267
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-(3-propoxypropyl)piperidine-2-carboxylic acid
SMILESCCCOCCCC1CCNC(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-2-7-16-8-3-4-10-5-6-13-11(9-10)12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyCHUDZOVFCCYJIX-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-propoxypropyl)piperidine-2-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-(3-propoxypropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3-propoxypropyl)piperidine-2-carboxylic acid (CID 18446267) is 4-(3-propoxypropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-propoxypropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3-propoxypropyl)piperidine-2-carboxylic acid is CCCOCCCC1CCNC(C(=O)O)C1.
What is the InChIKey of 4-(3-propoxypropyl)piperidine-2-carboxylic acid?
The InChIKey is CHUDZOVFCCYJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-7-16-8-3-4-10-5-6-13-11(9-10)12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-(3-propoxypropyl)piperidine-2-carboxylic acid?
4-(3-propoxypropyl)piperidine-2-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propoxypropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18446267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).