3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine

C20H23N3O — CID 2875481

IUPAC3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
SMILESCOc1ccccc1C=CC=NN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c1-24-20-12-6-5-8-18(20)9-7-13-21-23-16-14-22(15-17-23)19-10-3-2-4-11-19/h2-13H,14-17H2,1H3
InChIKeyTYKRZRJFFMEOJU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.52
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine

3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine (PubChem CID 2875481) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
PubChem CID2875481
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
SMILESCOc1ccccc1C=CC=NN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c1-24-20-12-6-5-8-18(20)9-7-13-21-23-16-14-22(15-17-23)19-10-3-2-4-11-19/h2-13H,14-17H2,1H3
InChIKeyTYKRZRJFFMEOJU-UHFFFAOYSA-N
XLogP3.52
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 2868304
(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 6862353
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine;hydrochloride
CID 2868825
1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
CID 1185111
(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5344533
(Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine
CID 6996171
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 6899320
1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione
CID 18280814
2-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6886426
2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
CID 135576721

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The IUPAC name of 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine (CID 2875481) is 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is COc1ccccc1C=CC=NN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The InChIKey is TYKRZRJFFMEOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-24-20-12-6-5-8-18(20)9-7-13-21-23-16-14-22(15-17-23)19-10-3-2-4-11-19/h2-13H,14-17H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine has a molecular weight of 321.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 2875481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).