(Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine

C19H23N3 — CID 5402577

IUPAC(Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESCCc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3/c1-2-17-8-10-18(11-9-17)16-20-22-14-12-21(13-15-22)19-6-4-3-5-7-19/h3-11,16H,2,12-15H2,1H3/b20-16-
InChIKeyMYIASGVSUUETQY-SILNSSARSA-N
MW293.41 g/mol
LogP3.41
Rot. Bonds4

About (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine

(Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine (PubChem CID 5402577) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
PubChem CID5402577
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name(Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESCCc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3/c1-2-17-8-10-18(11-9-17)16-20-22-14-12-21(13-15-22)19-6-4-3-5-7-19/h3-11,16H,2,12-15H2,1H3/b20-16-
InChIKeyMYIASGVSUUETQY-SILNSSARSA-N
XLogP3.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The IUPAC name of (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine (CID 5402577) is (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The canonical SMILES for (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine is CCc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The InChIKey is MYIASGVSUUETQY-SILNSSARSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-17-8-10-18(11-9-17)16-20-22-14-12-21(13-15-22)19-6-4-3-5-7-19/h3-11,16H,2,12-15H2,1H3/b20-16-.
What are the key properties of (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
(Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine has a molecular weight of 293.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-ethylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5402577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).