(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine

C11H20FN3 — CID 154023825

IUPAC(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine
SMILESC/C=C\C(CN1CCNCC1)=NC(C)F
InChIInChI=1S/C11H20FN3/c1-3-4-11(14-10(2)12)9-15-7-5-13-6-8-15/h3-4,10,13H,5-9H2,1-2H3/b4-3-,14-11?
InChIKeyMUGCBQTUFOOHNJ-YVBIKRKDSA-N
MW213.30 g/mol
LogP1.22
Rot. Bonds4

About (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine

(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine (PubChem CID 154023825) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine
PubChem CID154023825
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine
SMILESC/C=C\C(CN1CCNCC1)=NC(C)F
InChIInChI=1S/C11H20FN3/c1-3-4-11(14-10(2)12)9-15-7-5-13-6-8-15/h3-4,10,13H,5-9H2,1-2H3/b4-3-,14-11?
InChIKeyMUGCBQTUFOOHNJ-YVBIKRKDSA-N
XLogP1.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026885
(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145197990
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
1-[(Z)-2-(2-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026988
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
1-(2,2-difluoroethyl)piperazine
CID 19622797
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
ethane;2-piperazin-1-ylacetic acid
CID 143723779
1-[(Z)-pent-3-en-2-yl]piperazine
CID 70169405
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine?
The IUPAC name of (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine (CID 154023825) is (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine.
What is the SMILES notation for (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine?
The canonical SMILES for (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine is C/C=C\C(CN1CCNCC1)=NC(C)F.
What is the InChIKey of (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine?
The InChIKey is MUGCBQTUFOOHNJ-YVBIKRKDSA-N. The full InChI is InChI=1S/C11H20FN3/c1-3-4-11(14-10(2)12)9-15-7-5-13-6-8-15/h3-4,10,13H,5-9H2,1-2H3/b4-3-,14-11?.
What are the key properties of (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine?
(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine has a molecular weight of 213.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine is sourced from PubChem (CID 154023825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).