(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine

C10H17N3 — CID 143325176

IUPAC(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
SMILESC=C(/N=C\C=C/C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h3-5,11H,2,6-9H2,1H3/b4-3-,12-5-
InChIKeyZPKRNDMUORBZGB-HVSXSXIDSA-N
MW179.27 g/mol
LogP1.01
Rot. Bonds3

About (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine

(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine (PubChem CID 143325176) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
PubChem CID143325176
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
SMILESC=C(/N=C\C=C/C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h3-5,11H,2,6-9H2,1H3/b4-3-,12-5-
InChIKeyZPKRNDMUORBZGB-HVSXSXIDSA-N
XLogP1.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperazin-1-yl-2H-pyrimidine-1-carbonitrile
CID 20455439
2-(4-Methylpiperazin-1-yl)-1,2-dihydropyrimidine
CID 22328744
N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 68309739
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
2,6-dimethyl-2-piperazin-1-yl-1H-pyrimidine;dihydrochloride
CID 70398201
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 88931237
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406060
(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine
CID 134406692
N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylprop-2-en-1-imine
CID 134406734

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine?
The IUPAC name of (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine (CID 143325176) is (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine?
The canonical SMILES for (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine is C=C(/N=C\C=C/C)N1CCNCC1.
What is the InChIKey of (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine?
The InChIKey is ZPKRNDMUORBZGB-HVSXSXIDSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h3-5,11H,2,6-9H2,1H3/b4-3-,12-5-.
What are the key properties of (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine?
(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine has a molecular weight of 179.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine is sourced from PubChem (CID 143325176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).