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

C18H19ClFN3 — CID 6879393

IUPAC(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClFN3/c19-17-5-1-16(2-6-17)14-22-9-11-23(12-10-22)21-13-15-3-7-18(20)8-4-15/h1-8,13H,9-12,14H2/b21-13+
InChIKeyKCOPYUDJMVHAEX-FYJGNVAPSA-N
MW331.82 g/mol
LogP3.63
Rot. Bonds4

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

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine (PubChem CID 6879393) has the molecular formula C18H19ClFN3 and a molecular weight of 331.82 g/mol. Its IUPAC name is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
PubChem CID6879393
Molecular FormulaC18H19ClFN3
Molecular Weight331.82 g/mol
Exact Mass331.13
IUPAC Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClFN3/c19-17-5-1-16(2-6-17)14-22-9-11-23(12-10-22)21-13-15-3-7-18(20)8-4-15/h1-8,13H,9-12,14H2/b21-13+
InChIKeyKCOPYUDJMVHAEX-FYJGNVAPSA-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

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 6878328
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 5410346
4-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]benzene-1,2-diol
CID 135492291
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine
CID 879215
3-[(Z)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 5402515
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine
CID 5343531
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 1361808
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6867526
2,6-ditert-butyl-4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 2143746
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine?
The IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine (CID 6879393) is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine?
The canonical SMILES for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine is Fc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine?
The InChIKey is KCOPYUDJMVHAEX-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H19ClFN3/c19-17-5-1-16(2-6-17)14-22-9-11-23(12-10-22)21-13-15-3-7-18(20)8-4-15/h1-8,13H,9-12,14H2/b21-13+.
What are the key properties of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine?
(E)-N-[4-[(4-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 (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 6879393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).