(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine

C9H15N3 — CID 143834887

IUPAC(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine
SMILESC=C/C=N\C(=C)N1CCNCC1
InChIInChI=1S/C9H15N3/c1-3-4-11-9(2)12-7-5-10-6-8-12/h3-4,10H,1-2,5-8H2/b11-4-
InChIKeyRKUBMAXXRWFGPR-WCIBSUBMSA-N
MW165.24 g/mol
LogP0.62
Rot. Bonds3

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

(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine (PubChem CID 143834887) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine
PubChem CID143834887
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine
SMILESC=C/C=N\C(=C)N1CCNCC1
InChIInChI=1S/C9H15N3/c1-3-4-11-9(2)12-7-5-10-6-8-12/h3-4,10H,1-2,5-8H2/b11-4-
InChIKeyRKUBMAXXRWFGPR-WCIBSUBMSA-N
XLogP0.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.62
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

1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine
CID 156761510
2-(1,3-Diazinan-2-yl)-1,2-dihydropyrimidine
CID 5232770
2-piperazin-1-yl-2H-pyrimidine-1-carbonitrile
CID 20455439
2-(4-Methylpiperazin-1-yl)-1,2-dihydropyrimidine
CID 22328744
2-(2H-pyrimidin-1-yl)ethanamine
CID 22639610
2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine
CID 67787370
N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 68309739
N-(1-piperazin-1-ylethenyl)ethanimine
CID 68377765
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 88931237
N-(1-piperazin-1-ylprop-1-enyl)methanimine
CID 91155840
1,2-Dihydropyrimidin-2-ylmethanamine
CID 118177714

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine?
The IUPAC name of (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine (CID 143834887) is (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine?
The canonical SMILES for (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine is C=C/C=N\C(=C)N1CCNCC1.
What is the InChIKey of (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine?
The InChIKey is RKUBMAXXRWFGPR-WCIBSUBMSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-11-9(2)12-7-5-10-6-8-12/h3-4,10H,1-2,5-8H2/b11-4-.
What are the key properties of (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine?
(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine has a molecular weight of 165.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine is sourced from PubChem (CID 143834887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).