(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine

C11H19N3 — CID 134406060

IUPAC(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)N1CCNCC1
InChIInChI=1S/C11H19N3/c1-4-11(9-13-10(2)3)14-7-5-12-6-8-14/h4,9,12H,2,5-8H2,1,3H3/b11-4+,13-9+
InChIKeyQIVCOPDLVXJVHH-PXHRWDJLSA-N
MW193.29 g/mol
LogP1.40
Rot. Bonds3

About (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine

(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 134406060) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID134406060
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)N1CCNCC1
InChIInChI=1S/C11H19N3/c1-4-11(9-13-10(2)3)14-7-5-12-6-8-14/h4,9,12H,2,5-8H2,1,3H3/b11-4+,13-9+
InChIKeyQIVCOPDLVXJVHH-PXHRWDJLSA-N
XLogP1.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.40
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)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine (CID 134406060) is (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C/C(=C\C)N1CCNCC1.
What is the InChIKey of (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is QIVCOPDLVXJVHH-PXHRWDJLSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-11(9-13-10(2)3)14-7-5-12-6-8-14/h4,9,12H,2,5-8H2,1,3H3/b11-4+,13-9+.
What are the key properties of (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine?
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 193.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 134406060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).