(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine

C12H20FN3 — CID 123842165

IUPAC(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine
SMILESCC(=C/N1CCNCC1)/N=C(C)/C=C(\C)F
InChIInChI=1S/C12H20FN3/c1-10(13)8-11(2)15-12(3)9-16-6-4-14-5-7-16/h8-9,14H,4-7H2,1-3H3/b10-8+,12-9-,15-11+
InChIKeyXFQJVKQQWDCSEA-RTXVZISQSA-N
MW225.31 g/mol
LogP2.09
Rot. Bonds3

About (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine

(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine (PubChem CID 123842165) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine
PubChem CID123842165
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine
SMILESCC(=C/N1CCNCC1)/N=C(C)/C=C(\C)F
InChIInChI=1S/C12H20FN3/c1-10(13)8-11(2)15-12(3)9-16-6-4-14-5-7-16/h8-9,14H,4-7H2,1-3H3/b10-8+,12-9-,15-11+
InChIKeyXFQJVKQQWDCSEA-RTXVZISQSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.09
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

2,4,9,11-Tetramethyl-1,5,8,12-tetraazacyclotetradeca-1,3,9,11-tetraene
CID 10890274
(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine
CID 154023825
N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine
CID 162408251
5,7,12,14-Tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene
CID 66661341
N-(2-(N,N-dimethylamino)ethyl)-4-(2-(N,N-dimethylamino)ethylimino)-2-penten-2-amine
CID 86643204
N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 87437605
N-[(E)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]prop-1-enyl]but-3-en-2-imine
CID 88944973
(Z)-4-[2-(dimethylamino)ethylimino]-N-propan-2-ylpent-2-en-2-amine
CID 101561717
(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
CID 123800549
N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
CID 123947681
2-methyl-6-piperazin-1-yl-4H-azepine
CID 134406048
(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
CID 134406064

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine?
The IUPAC name of (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine (CID 123842165) is (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine.
What is the SMILES notation for (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine?
The canonical SMILES for (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine is CC(=C/N1CCNCC1)/N=C(C)/C=C(\C)F.
What is the InChIKey of (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine?
The InChIKey is XFQJVKQQWDCSEA-RTXVZISQSA-N. The full InChI is InChI=1S/C12H20FN3/c1-10(13)8-11(2)15-12(3)9-16-6-4-14-5-7-16/h8-9,14H,4-7H2,1-3H3/b10-8+,12-9-,15-11+.
What are the key properties of (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine?
(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine has a molecular weight of 225.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 123842165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).