N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine

C18H19ClFN3 — CID 869961

IUPACN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H19ClFN3/c19-18-4-2-1-3-16(18)14-22-9-11-23(12-10-22)21-13-15-5-7-17(20)8-6-15/h1-8,13H,9-12,14H2
InChIKeyAJSRKARIJFFVLH-UHFFFAOYSA-N
MW331.82 g/mol
LogP3.63
Rot. Bonds4

About N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine

N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine (PubChem CID 869961) has the molecular formula C18H19ClFN3 and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
PubChem CID869961
Molecular FormulaC18H19ClFN3
Molecular Weight331.82 g/mol
Exact Mass331.13
IUPAC NameN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H19ClFN3/c19-18-4-2-1-3-16(18)14-22-9-11-23(12-10-22)21-13-15-5-7-17(20)8-6-15/h1-8,13H,9-12,14H2
InChIKeyAJSRKARIJFFVLH-UHFFFAOYSA-N
XLogP3.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 53.63
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

(4-Benzyl-piperazin-1-yl)-(4-fluoro-benzylidene)-amine
CID 5342960
(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-[(E)-phenylmethylidene]-1-piperazinamine
CID 5343041
(4-(2-Chloro-benzyl)-piperazin-1-YL)-(4-methylsulfanyl-benzylidene)-amine
CID 5343124
4-(4-Chlorobenzyl)-N-(1-(4-fluorophenyl)ethylidene)-1-piperazinamine
CID 7464662
4-(2-Chlorobenzyl)-N-(1-(4-fluorophenyl)ethylidene)-1-piperazinamine
CID 9616838
4-(4-Chlorobenzyl)-N-(2-methylbenzylidene)-1-piperazinamine
CID 5347766
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594
1-Benzyl-4-[(2-chlorophenyl)methyl]piperazine
CID 764825
N,N-Dibenzyl-N''-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9690663
4-benzyl-N-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1-piperazinamine
CID 6878474

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine (CID 869961) is N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine is Fc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine?
The InChIKey is AJSRKARIJFFVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3/c19-18-4-2-1-3-16(18)14-22-9-11-23(12-10-22)21-13-15-5-7-17(20)8-6-15/h1-8,13H,9-12,14H2.
What are the key properties of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine?
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine has a molecular weight of 331.82 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 869961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).