2-piperazin-1-ylbut-2-en-1-imine

C8H15N3 — CID 123781310

IUPAC2-piperazin-1-ylbut-2-en-1-imine
SMILES[H]/N=C/C(=CC)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-2-8(7-9)11-5-3-10-4-6-11/h2,7,9-10H,3-6H2,1H3/b8-2?,9-7+
InChIKeyPVHUHWSYXKBDRP-CTNYCBAPSA-N
MW153.23 g/mol
LogP0.44
Rot. Bonds2

About 2-piperazin-1-ylbut-2-en-1-imine

2-piperazin-1-ylbut-2-en-1-imine (PubChem CID 123781310) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-piperazin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name2-piperazin-1-ylbut-2-en-1-imine
PubChem CID123781310
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-piperazin-1-ylbut-2-en-1-imine
SMILES[H]/N=C/C(=CC)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-2-8(7-9)11-5-3-10-4-6-11/h2,7,9-10H,3-6H2,1H3/b8-2?,9-7+
InChIKeyPVHUHWSYXKBDRP-CTNYCBAPSA-N
XLogP0.44
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-But-2-en-2-ylpiperazine
CID 90791607
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
2-Piperazin-1-ylprop-2-en-1-imine
CID 123720959
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine
CID 126687721
(Z)-4-imino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-2-amine
CID 129298779
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine
CID 134405858
2-methyl-6-piperazin-1-yl-4H-azepine
CID 134406048
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406060

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylbut-2-en-1-imine?
The IUPAC name of 2-piperazin-1-ylbut-2-en-1-imine (CID 123781310) is 2-piperazin-1-ylbut-2-en-1-imine.
What is the SMILES notation for 2-piperazin-1-ylbut-2-en-1-imine?
The canonical SMILES for 2-piperazin-1-ylbut-2-en-1-imine is [H]/N=C/C(=CC)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylbut-2-en-1-imine?
The InChIKey is PVHUHWSYXKBDRP-CTNYCBAPSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-8(7-9)11-5-3-10-4-6-11/h2,7,9-10H,3-6H2,1H3/b8-2?,9-7+.
What are the key properties of 2-piperazin-1-ylbut-2-en-1-imine?
2-piperazin-1-ylbut-2-en-1-imine has a molecular weight of 153.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 123781310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).