(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine

C15H21N3 — CID 6901397

IUPAC(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
SMILESCC(/C=N/N1CCN(C)CC1)=C\c1ccccc1
InChIInChI=1S/C15H21N3/c1-14(12-15-6-4-3-5-7-15)13-16-18-10-8-17(2)9-11-18/h3-7,12-13H,8-11H2,1-2H3/b14-12+,16-13+
InChIKeyWDJFFKOWRKMSSZ-ZAVUQCBESA-N
MW243.35 g/mol
LogP2.32
Rot. Bonds3

About (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine

(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine (PubChem CID 6901397) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
PubChem CID6901397
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
SMILESCC(/C=N/N1CCN(C)CC1)=C\c1ccccc1
InChIInChI=1S/C15H21N3/c1-14(12-15-6-4-3-5-7-15)13-16-18-10-8-17(2)9-11-18/h3-7,12-13H,8-11H2,1-2H3/b14-12+,16-13+
InChIKeyWDJFFKOWRKMSSZ-ZAVUQCBESA-N
XLogP2.32
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 727330
(E,E)-2-bromo-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 5342562
N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 3754761
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
(E,E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 6861828
(Z,Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 5450186
(Z,E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 5450185
2-(4-methylpiperazin-1-yl)imino-1-phenylethanone;hydrochloride
CID 20981830
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 17271674
4-[(2-methyl-3-phenylprop-2-enylidene)amino]-1H-1,2,4-triazole-5-thione
CID 2792079
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763

Frequently Asked Questions

What is the IUPAC name of (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine (CID 6901397) is (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine is CC(/C=N/N1CCN(C)CC1)=C\c1ccccc1.
What is the InChIKey of (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine?
The InChIKey is WDJFFKOWRKMSSZ-ZAVUQCBESA-N. The full InChI is InChI=1S/C15H21N3/c1-14(12-15-6-4-3-5-7-15)13-16-18-10-8-17(2)9-11-18/h3-7,12-13H,8-11H2,1-2H3/b14-12+,16-13+.
What are the key properties of (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine?
(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine has a molecular weight of 243.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 6901397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).