2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine

C10H17N3 — CID 134406723

IUPAC2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(C)/N=C/C(=C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-9(2)12-8-10(3)13-6-4-11-5-7-13/h8,11H,1,3-7H2,2H3/b12-8+
InChIKeyVOIFHDAAHCNWTB-XYOKQWHBSA-N
MW179.27 g/mol
LogP1.01
Rot. Bonds3

About 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine

2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 134406723) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID134406723
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(C)/N=C/C(=C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-9(2)12-8-10(3)13-6-4-11-5-7-13/h8,11H,1,3-7H2,2H3/b12-8+
InChIKeyVOIFHDAAHCNWTB-XYOKQWHBSA-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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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine (CID 134406723) is 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(C)/N=C/C(=C)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is VOIFHDAAHCNWTB-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2)12-8-10(3)13-6-4-11-5-7-13/h8,11H,1,3-7H2,2H3/b12-8+.
What are the key properties of 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine?
2-piperazin-1-yl-N-prop-1-en-2-ylprop-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 2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 134406723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).