2-[4-(2-aminoethyl)piperazin-1-yl]propanal

C9H19N3O — CID 174502098

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]propanal
SMILESCC(C=O)N1CCN(CCN)CC1
InChIInChI=1S/C9H19N3O/c1-9(8-13)12-6-4-11(3-2-10)5-7-12/h8-9H,2-7,10H2,1H3
InChIKeyYISIXUIHVBHPEC-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.85
Rot. Bonds4

About 2-[4-(2-aminoethyl)piperazin-1-yl]propanal

2-[4-(2-aminoethyl)piperazin-1-yl]propanal (PubChem CID 174502098) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]propanal.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]propanal
PubChem CID174502098
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]propanal
SMILESCC(C=O)N1CCN(CCN)CC1
InChIInChI=1S/C9H19N3O/c1-9(8-13)12-6-4-11(3-2-10)5-7-12/h8-9H,2-7,10H2,1H3
InChIKeyYISIXUIHVBHPEC-UHFFFAOYSA-N
XLogP-0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 43252622
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine
CID 70668538
2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
CID 106450826
2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]piperazin-1-yl]propanal
CID 91475489

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]propanal?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]propanal (CID 174502098) is 2-[4-(2-aminoethyl)piperazin-1-yl]propanal.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]propanal?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]propanal is CC(C=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]propanal?
The InChIKey is YISIXUIHVBHPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(8-13)12-6-4-11(3-2-10)5-7-12/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]propanal?
2-[4-(2-aminoethyl)piperazin-1-yl]propanal has a molecular weight of 185.27 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]propanal is sourced from PubChem (CID 174502098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).