2-piperazin-1-ylpropanal

C7H14N2O — CID 19608631

IUPAC2-piperazin-1-ylpropanal
SMILESCC(C=O)N1CCNCC1
InChIInChI=1S/C7H14N2O/c1-7(6-10)9-4-2-8-3-5-9/h6-8H,2-5H2,1H3
InChIKeyNRPARTHTHRTTMK-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.52
Rot. Bonds2

About 2-piperazin-1-ylpropanal

2-piperazin-1-ylpropanal (PubChem CID 19608631) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-piperazin-1-ylpropanal.

Molecular Properties

Compound Name2-piperazin-1-ylpropanal
PubChem CID19608631
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-piperazin-1-ylpropanal
SMILESCC(C=O)N1CCNCC1
InChIInChI=1S/C7H14N2O/c1-7(6-10)9-4-2-8-3-5-9/h6-8H,2-5H2,1H3
InChIKeyNRPARTHTHRTTMK-UHFFFAOYSA-N
XLogP-0.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-piperazin-1-ylpropanal 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 2-piperazin-1-ylpropanal?
The IUPAC name of 2-piperazin-1-ylpropanal (CID 19608631) is 2-piperazin-1-ylpropanal.
What is the SMILES notation for 2-piperazin-1-ylpropanal?
The canonical SMILES for 2-piperazin-1-ylpropanal is CC(C=O)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylpropanal?
The InChIKey is NRPARTHTHRTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(6-10)9-4-2-8-3-5-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-piperazin-1-ylpropanal?
2-piperazin-1-ylpropanal has a molecular weight of 142.20 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpropanal is sourced from PubChem (CID 19608631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).