N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine

C10H19N3 — CID 142143988

IUPACN-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine
SMILESC/C=C(CN1CCNCC1)\N=C\C
InChIInChI=1S/C10H19N3/c1-3-10(12-4-2)9-13-7-5-11-6-8-13/h3-4,11H,5-9H2,1-2H3/b10-3-,12-4+
InChIKeyGJHNWBBKWSQRRS-OROJOBSHSA-N
MW181.28 g/mol
LogP0.89
Rot. Bonds3

About N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine

N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine (PubChem CID 142143988) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine
PubChem CID142143988
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine
SMILESC/C=C(CN1CCNCC1)\N=C\C
InChIInChI=1S/C10H19N3/c1-3-10(12-4-2)9-13-7-5-11-6-8-13/h3-4,11H,5-9H2,1-2H3/b10-3-,12-4+
InChIKeyGJHNWBBKWSQRRS-OROJOBSHSA-N
XLogP0.89
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.89
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-But-2-en-2-ylpiperazine
CID 90791607
Methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium
CID 91135733
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
2-Piperazin-1-ylbut-2-en-1-imine
CID 123781310
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine
CID 126687721
(Z)-4-imino-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-2-amine
CID 129298779
N-[(2Z,4Z)-1-piperazin-1-ylhexa-2,4-dien-2-yl]methanimine
CID 132035455
N-[(1Z,3E)-3-piperazin-1-ylpenta-1,3-dienyl]methanimine
CID 132151580
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
N-ethyl-N'-methyl-N'-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]ethane-1,2-diamine
CID 134405858

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine (CID 142143988) is N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine is C/C=C(CN1CCNCC1)\N=C\C.
What is the InChIKey of N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine?
The InChIKey is GJHNWBBKWSQRRS-OROJOBSHSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-10(12-4-2)9-13-7-5-11-6-8-13/h3-4,11H,5-9H2,1-2H3/b10-3-,12-4+.
What are the key properties of N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine?
N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine has a molecular weight of 181.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]ethanimine is sourced from PubChem (CID 142143988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).