3-[piperidin-4-yl(propyl)amino]propanal

C11H22N2O — CID 63039419

IUPAC3-[piperidin-4-yl(propyl)amino]propanal
SMILESCCCN(CCC=O)C1CCNCC1
InChIInChI=1S/C11H22N2O/c1-2-8-13(9-3-10-14)11-4-6-12-7-5-11/h10-12H,2-9H2,1H3
InChIKeyGMPUKMIAJRSFFI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.04
Rot. Bonds6

About 3-[piperidin-4-yl(propyl)amino]propanal

3-[piperidin-4-yl(propyl)amino]propanal (PubChem CID 63039419) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[piperidin-4-yl(propyl)amino]propanal.

Molecular Properties

Compound Name3-[piperidin-4-yl(propyl)amino]propanal
PubChem CID63039419
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[piperidin-4-yl(propyl)amino]propanal
SMILESCCCN(CCC=O)C1CCNCC1
InChIInChI=1S/C11H22N2O/c1-2-8-13(9-3-10-14)11-4-6-12-7-5-11/h10-12H,2-9H2,1H3
InChIKeyGMPUKMIAJRSFFI-UHFFFAOYSA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[piperidin-4-yl(propyl)amino]propanal 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-[piperidin-4-yl(propyl)amino]propanal?
The IUPAC name of 3-[piperidin-4-yl(propyl)amino]propanal (CID 63039419) is 3-[piperidin-4-yl(propyl)amino]propanal.
What is the SMILES notation for 3-[piperidin-4-yl(propyl)amino]propanal?
The canonical SMILES for 3-[piperidin-4-yl(propyl)amino]propanal is CCCN(CCC=O)C1CCNCC1.
What is the InChIKey of 3-[piperidin-4-yl(propyl)amino]propanal?
The InChIKey is GMPUKMIAJRSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-8-13(9-3-10-14)11-4-6-12-7-5-11/h10-12H,2-9H2,1H3.
What are the key properties of 3-[piperidin-4-yl(propyl)amino]propanal?
3-[piperidin-4-yl(propyl)amino]propanal has a molecular weight of 198.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-4-yl(propyl)amino]propanal is sourced from PubChem (CID 63039419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).