(E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine

C12H21N3 — CID 145197749

IUPAC(E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\CC)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-5-12(10-14-11(2)3)15-8-6-13-7-9-15/h5,10,13H,2,4,6-9H2,1,3H3/b12-5+,14-10+
InChIKeyHOTMSXYWPHMJLR-AXGVLNFASA-N
MW207.32 g/mol
LogP1.79
Rot. Bonds4

About (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine

(E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine (PubChem CID 145197749) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine
PubChem CID145197749
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\CC)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-5-12(10-14-11(2)3)15-8-6-13-7-9-15/h5,10,13H,2,4,6-9H2,1,3H3/b12-5+,14-10+
InChIKeyHOTMSXYWPHMJLR-AXGVLNFASA-N
XLogP1.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.79
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

(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine
CID 123842165
5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
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
1-Hex-3-en-3-ylpiperazine
CID 91561259
(Z)-4-[2-(dimethylamino)ethylimino]-N-propan-2-ylpent-2-en-2-amine
CID 101561717
1-Pent-2-en-3-ylpiperazine
CID 123266346
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
2-Piperazin-1-ylbut-2-en-1-imine
CID 123781310
(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
CID 123800549
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
CID 134355345

Frequently Asked Questions

What is the IUPAC name of (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine?
The IUPAC name of (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine (CID 145197749) is (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine.
What is the SMILES notation for (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine?
The canonical SMILES for (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine is C=C(C)/N=C/C(=C\CC)N1CCNCC1.
What is the InChIKey of (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine?
The InChIKey is HOTMSXYWPHMJLR-AXGVLNFASA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-12(10-14-11(2)3)15-8-6-13-7-9-15/h5,10,13H,2,4,6-9H2,1,3H3/b12-5+,14-10+.
What are the key properties of (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine?
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine is sourced from PubChem (CID 145197749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).