2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine

C11H19N3 — CID 145197719

IUPAC2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCNCC1
InChIInChI=1S/C11H19N3/c1-10(2)13-8-11(3)9-14-6-4-12-5-7-14/h8,12H,1,3-7,9H2,2H3/b13-8+
InChIKeyURVAOGIWWRCUJW-MDWZMJQESA-N
MW193.29 g/mol
LogP1.05
Rot. Bonds4

About 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine

2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 145197719) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID145197719
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCNCC1
InChIInChI=1S/C11H19N3/c1-10(2)13-8-11(3)9-14-6-4-12-5-7-14/h8,12H,1,3-7,9H2,2H3/b13-8+
InChIKeyURVAOGIWWRCUJW-MDWZMJQESA-N
XLogP1.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.05
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-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406060
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine
CID 134406303
N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine
CID 134406371
N-ethyl-N'-methyl-N'-[(Z)-2-(prop-1-en-2-yliminomethyl)but-2-enyl]ethane-1,2-diamine
CID 134406419
2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 134406723
N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
CID 134406725
N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylprop-2-en-1-imine
CID 134406734
ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 144622099
ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine
CID 145197611

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine (CID 145197719) is 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(/C=N/C(=C)C)CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is URVAOGIWWRCUJW-MDWZMJQESA-N. The full InChI is InChI=1S/C11H19N3/c1-10(2)13-8-11(3)9-14-6-4-12-5-7-14/h8,12H,1,3-7,9H2,2H3/b13-8+.
What are the key properties of 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine?
2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine has a molecular weight of 193.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 145197719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).