(E)-3-piperazin-1-ylbut-2-en-1-imine

C8H15N3 — CID 142245533

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

About (E)-3-piperazin-1-ylbut-2-en-1-imine

(E)-3-piperazin-1-ylbut-2-en-1-imine (PubChem CID 142245533) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (E)-3-piperazin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-piperazin-1-ylbut-2-en-1-imine
PubChem CID142245533
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(E)-3-piperazin-1-ylbut-2-en-1-imine
SMILES[H]/N=C/C=C(\C)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-8(2-3-9)11-6-4-10-5-7-11/h2-3,9-10H,4-7H2,1H3/b8-2+,9-3+
InChIKeySGRZCDGJUCVTTN-CPJVMOPCSA-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'}

Analyze (E)-3-piperazin-1-ylbut-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
ethene;1-piperazin-1-ylethanone
CID 145071339
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 143734563
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen
CID 170740622
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
N-(2-methylprop-1-enyl)piperazine-1-carboxamide
CID 108909767
1-hepta-1,3,5-trien-2-ylpiperazine
CID 90763085
(E)-3,5-dimethyl-1-piperazin-1-ylhex-2-en-1-imine;ethane
CID 166128167
1-(1,4-diazepan-1-yl)-3-methylbut-2-en-1-one
CID 28881262
(Z)-1-piperazin-1-ylhex-2-en-1-imine
CID 176921342
tert-butyl formate;piperazine-1-carboximidamide;hydrochloride
CID 174785913

Frequently Asked Questions

What is the IUPAC name of (E)-3-piperazin-1-ylbut-2-en-1-imine?
The IUPAC name of (E)-3-piperazin-1-ylbut-2-en-1-imine (CID 142245533) is (E)-3-piperazin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-3-piperazin-1-ylbut-2-en-1-imine?
The canonical SMILES for (E)-3-piperazin-1-ylbut-2-en-1-imine is [H]/N=C/C=C(\C)N1CCNCC1.
What is the InChIKey of (E)-3-piperazin-1-ylbut-2-en-1-imine?
The InChIKey is SGRZCDGJUCVTTN-CPJVMOPCSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2-3-9)11-6-4-10-5-7-11/h2-3,9-10H,4-7H2,1H3/b8-2+,9-3+.
What are the key properties of (E)-3-piperazin-1-ylbut-2-en-1-imine?
(E)-3-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 (E)-3-piperazin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 142245533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).