(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine

C24H24ClN3 — CID 5347892

IUPAC(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine
SMILESClc1ccc(CN2CCN(/N=C/c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H24ClN3/c25-24-12-8-21(9-13-24)19-27-14-16-28(17-15-27)26-18-20-6-10-23(11-7-20)22-4-2-1-3-5-22/h1-13,18H,14-17,19H2/b26-18+
InChIKeyLIXNRYYPOAIZAN-NLRVBDNBSA-N
MW389.93 g/mol
LogP5.16
Rot. Bonds5

About (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine (PubChem CID 5347892) has the molecular formula C24H24ClN3 and a molecular weight of 389.93 g/mol. Its IUPAC name is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine
PubChem CID5347892
Molecular FormulaC24H24ClN3
Molecular Weight389.93 g/mol
Exact Mass389.17
IUPAC Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine
SMILESClc1ccc(CN2CCN(/N=C/c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H24ClN3/c25-24-12-8-21(9-13-24)19-27-14-16-28(17-15-27)26-18-20-6-10-23(11-7-20)22-4-2-1-3-5-22/h1-13,18H,14-17,19H2/b26-18+
InChIKeyLIXNRYYPOAIZAN-NLRVBDNBSA-N
XLogP5.16
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 55.16
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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Related Compounds

Buclizine
CID 6729
Clocinizine
CID 5375618
(4-Benzyl-piperazin-1-yl)-(4-chloro-benzylidene)-amine
CID 5342900
(4-Benzyl-piperazin-1-yl)-(3-chloro-benzylidene)-amine
CID 5343150
4-Benzyl-N-((1,1'-biphenyl)-4-ylmethylene)-1-piperazinamine
CID 6879938
4-(4-Chlorobenzyl)-N-(1-(4-fluorophenyl)ethylidene)-1-piperazinamine
CID 7464662
1-[(4-tert-butylphenyl)methyl]-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine
CID 5771541
4-(4-Chlorobenzyl)-N-(2-methylbenzylidene)-1-piperazinamine
CID 5347766
N,N-Dibenzyl-N''-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9690663
(4-Chloro-benzylidene)-(4-(2-chloro-benzyl)-piperazin-1-YL)-amine
CID 5342835
4-(2-Chlorobenzyl)-N-(2-fluorobenzylidene)-1-piperazinamine hydrochloride
CID 5342872
(4-Benzyl-piperazin-1-yl)-(2-chloro-benzylidene)-amine
CID 44723931

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine?
The IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine (CID 5347892) is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine?
The canonical SMILES for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine is Clc1ccc(CN2CCN(/N=C/c3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine?
The InChIKey is LIXNRYYPOAIZAN-NLRVBDNBSA-N. The full InChI is InChI=1S/C24H24ClN3/c25-24-12-8-21(9-13-24)19-27-14-16-28(17-15-27)26-18-20-6-10-23(11-7-20)22-4-2-1-3-5-22/h1-13,18H,14-17,19H2/b26-18+.
What are the key properties of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine?
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine has a molecular weight of 389.93 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)methanimine is sourced from PubChem (CID 5347892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).