2-piperazin-1-ylprop-2-enal

C7H12N2O — CID 173106377

IUPAC2-piperazin-1-ylprop-2-enal
SMILESC=C(C=O)N1CCNCC1
InChIInChI=1S/C7H12N2O/c1-7(6-10)9-4-2-8-3-5-9/h6,8H,1-5H2
InChIKeyLMXWFZYOFLBNBZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.40
Rot. Bonds2

About 2-piperazin-1-ylprop-2-enal

2-piperazin-1-ylprop-2-enal (PubChem CID 173106377) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-piperazin-1-ylprop-2-enal.

Molecular Properties

Compound Name2-piperazin-1-ylprop-2-enal
PubChem CID173106377
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-piperazin-1-ylprop-2-enal
SMILESC=C(C=O)N1CCNCC1
InChIInChI=1S/C7H12N2O/c1-7(6-10)9-4-2-8-3-5-9/h6,8H,1-5H2
InChIKeyLMXWFZYOFLBNBZ-UHFFFAOYSA-N
XLogP-0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine
CID 163552940
1-hepta-1,3,5-trien-2-ylpiperazine
CID 90763085
2-imidazolidin-1-yl-2-oxoacetaldehyde
CID 174498915
(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine
CID 139338168
2-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-enal
CID 176910983
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
ethene;1-piperazin-1-ylethanone
CID 145071339
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
CID 142202942
(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
CID 153463003
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690
ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylprop-2-enal?
The IUPAC name of 2-piperazin-1-ylprop-2-enal (CID 173106377) is 2-piperazin-1-ylprop-2-enal.
What is the SMILES notation for 2-piperazin-1-ylprop-2-enal?
The canonical SMILES for 2-piperazin-1-ylprop-2-enal is C=C(C=O)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylprop-2-enal?
The InChIKey is LMXWFZYOFLBNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(6-10)9-4-2-8-3-5-9/h6,8H,1-5H2.
What are the key properties of 2-piperazin-1-ylprop-2-enal?
2-piperazin-1-ylprop-2-enal has a molecular weight of 140.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylprop-2-enal is sourced from PubChem (CID 173106377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).