(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine

C12H23N3 — CID 142486513

IUPAC(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine
SMILESCC/C=C(\N=C/CCC)N1CCNCC1
InChIInChI=1S/C12H23N3/c1-3-5-7-14-12(6-4-2)15-10-8-13-9-11-15/h6-7,13H,3-5,8-11H2,1-2H3/b12-6+,14-7-
InChIKeyUDJCKDGDBGUHGH-MXJWPQFFSA-N
MW209.34 g/mol
LogP2.01
Rot. Bonds5

About (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine

(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine (PubChem CID 142486513) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine
PubChem CID142486513
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine
SMILESCC/C=C(\N=C/CCC)N1CCNCC1
InChIInChI=1S/C12H23N3/c1-3-5-7-14-12(6-4-2)15-10-8-13-9-11-15/h6-7,13H,3-5,8-11H2,1-2H3/b12-6+,14-7-
InChIKeyUDJCKDGDBGUHGH-MXJWPQFFSA-N
XLogP2.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.01
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

N-(1-piperazin-1-ylethenyl)ethanimine
CID 68377765
1-(3,4-Dihydropyridin-6-yl)piperazine
CID 89109754
1-(3-Methyl-3,4-dihydropyridin-6-yl)piperazine
CID 89113427
N-(1-piperazin-1-ylprop-1-enyl)methanimine
CID 91155840
5,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4H-pyridin-2-amine
CID 137383021
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyridin-6-amine
CID 137383051
(Z,Z)-2-methyl-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine;propane
CID 141979646
ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180476
(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
CID 143325176
ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine
CID 143703268
(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]prop-2-en-1-imine
CID 143834893
ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
CID 143872817

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine?
The IUPAC name of (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine (CID 142486513) is (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine?
The canonical SMILES for (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine is CC/C=C(\N=C/CCC)N1CCNCC1.
What is the InChIKey of (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine?
The InChIKey is UDJCKDGDBGUHGH-MXJWPQFFSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-7-14-12(6-4-2)15-10-8-13-9-11-15/h6-7,13H,3-5,8-11H2,1-2H3/b12-6+,14-7-.
What are the key properties of (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine?
(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine has a molecular weight of 209.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine is sourced from PubChem (CID 142486513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).