(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine

C12H21N3 — CID 134405853

IUPAC(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
SMILESC/C=C(C)\N=C\C(=C/C)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-11(3)14-10-12(5-2)15-8-6-13-7-9-15/h4-5,10,13H,6-9H2,1-3H3/b11-4-,12-5+,14-10+
InChIKeyLBHWUBABAYPSMF-ILQHAXQOSA-N
MW207.32 g/mol
LogP1.79
Rot. Bonds3

About (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine

(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine (PubChem CID 134405853) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
PubChem CID134405853
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
SMILESC/C=C(C)\N=C\C(=C/C)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-11(3)14-10-12(5-2)15-8-6-13-7-9-15/h4-5,10,13H,6-9H2,1-3H3/b11-4-,12-5+,14-10+
InChIKeyLBHWUBABAYPSMF-ILQHAXQOSA-N
XLogP1.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine?
The IUPAC name of (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine (CID 134405853) is (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine?
The canonical SMILES for (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine is C/C=C(C)\N=C\C(=C/C)N1CCNCC1.
What is the InChIKey of (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine?
The InChIKey is LBHWUBABAYPSMF-ILQHAXQOSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-11(3)14-10-12(5-2)15-8-6-13-7-9-15/h4-5,10,13H,6-9H2,1-3H3/b11-4-,12-5+,14-10+.
What are the key properties of (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine?
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 134405853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).