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

C20H23N3 — CID 727330

IUPAC2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
SMILESCC(C=NN1CCN(c2ccccc2)CC1)=Cc1ccccc1
InChIInChI=1S/C20H23N3/c1-18(16-19-8-4-2-5-9-19)17-21-23-14-12-22(13-15-23)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
InChIKeyZPQXCOCXZPFXBJ-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.90
Rot. Bonds4

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

2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine (PubChem CID 727330) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
PubChem CID727330
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
SMILESCC(C=NN1CCN(c2ccccc2)CC1)=Cc1ccccc1
InChIInChI=1S/C20H23N3/c1-18(16-19-8-4-2-5-9-19)17-21-23-14-12-22(13-15-23)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
InChIKeyZPQXCOCXZPFXBJ-UHFFFAOYSA-N
XLogP3.90
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.90
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

(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 6901397
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 3754761
(Z,E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 5450185
(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
(E,E)-2-bromo-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 5342562
(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
CID 6879060
(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
CID 118737749
(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 5347654
N-(4-phenylpiperazin-1-yl)methanimine
CID 66881975
(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6878409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The IUPAC name of 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine (CID 727330) is 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The canonical SMILES for 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is CC(C=NN1CCN(c2ccccc2)CC1)=Cc1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The InChIKey is ZPQXCOCXZPFXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-18(16-19-8-4-2-5-9-19)17-21-23-14-12-22(13-15-23)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine has a molecular weight of 305.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 727330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).