1-(propylamino)piperidine-4-carboxylic acid

C9H18N2O2 — CID 91519526

IUPAC1-(propylamino)piperidine-4-carboxylic acid
SMILESCCCNN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-5-10-11-6-3-8(4-7-11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyHWPMBWADRBTXKY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.70
Rot. Bonds4

About 1-(propylamino)piperidine-4-carboxylic acid

1-(propylamino)piperidine-4-carboxylic acid (PubChem CID 91519526) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(propylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(propylamino)piperidine-4-carboxylic acid
PubChem CID91519526
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(propylamino)piperidine-4-carboxylic acid
SMILESCCCNN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-5-10-11-6-3-8(4-7-11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyHWPMBWADRBTXKY-UHFFFAOYSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(propylamino)piperidine-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 1-(propylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-(propylamino)piperidine-4-carboxylic acid (CID 91519526) is 1-(propylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(propylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(propylamino)piperidine-4-carboxylic acid is CCCNN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(propylamino)piperidine-4-carboxylic acid?
The InChIKey is HWPMBWADRBTXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-5-10-11-6-3-8(4-7-11)9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-(propylamino)piperidine-4-carboxylic acid?
1-(propylamino)piperidine-4-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 91519526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).