N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine

C21H25N3O — CID 877014

IUPACN-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
SMILESCOc1ccccc1N1CCN(N=CC(C)=Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c1-18(16-19-8-4-3-5-9-19)17-22-24-14-12-23(13-15-24)20-10-6-7-11-21(20)25-2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyDRDDABBWJWRCMV-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.91
Rot. Bonds5

About N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine

N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine (PubChem CID 877014) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
PubChem CID877014
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
SMILESCOc1ccccc1N1CCN(N=CC(C)=Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c1-18(16-19-8-4-3-5-9-19)17-22-24-14-12-23(13-15-24)20-10-6-7-11-21(20)25-2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyDRDDABBWJWRCMV-UHFFFAOYSA-N
XLogP3.91
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6878409
2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 727330
(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 6901397
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
1-(4-methoxyphenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 761172
4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
CID 5344505
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607
(Z)-1-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
CID 5415041
4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135877641

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine?
The IUPAC name of N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine (CID 877014) is N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine.
What is the SMILES notation for N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine?
The canonical SMILES for N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine is COc1ccccc1N1CCN(N=CC(C)=Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine?
The InChIKey is DRDDABBWJWRCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-18(16-19-8-4-3-5-9-19)17-22-24-14-12-23(13-15-24)20-10-6-7-11-21(20)25-2/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine?
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine has a molecular weight of 335.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 877014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).