(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine

C18H19ClFN3 — CID 6878328

IUPAC(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
SMILESFc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H19ClFN3/c19-17-6-4-15(5-7-17)14-22-8-10-23(11-9-22)21-13-16-2-1-3-18(20)12-16/h1-7,12-13H,8-11,14H2/b21-13+
InChIKeyWNRTZOXSXMYCLL-FYJGNVAPSA-N
MW331.82 g/mol
LogP3.63
Rot. Bonds4

About (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine (PubChem CID 6878328) 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-(3-fluorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
PubChem CID6878328
Molecular FormulaC18H19ClFN3
Molecular Weight331.82 g/mol
Exact Mass331.13
IUPAC Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
SMILESFc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H19ClFN3/c19-17-6-4-15(5-7-17)14-22-8-10-23(11-9-22)21-13-16-2-1-3-18(20)12-16/h1-7,12-13H,8-11,14H2/b21-13+
InChIKeyWNRTZOXSXMYCLL-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

(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 5410346
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-(4-fluorophenyl)methanimine
CID 6879393
4-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]benzene-1,2-diol
CID 135492291
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine
CID 5343531
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine
CID 2143721
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 1361808
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine
CID 6873146
2,6-ditert-butyl-4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 2143746
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine?
The IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine (CID 6878328) is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine.
What is the SMILES notation for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine?
The canonical SMILES for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine is Fc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine?
The InChIKey is WNRTZOXSXMYCLL-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H19ClFN3/c19-17-6-4-15(5-7-17)14-22-8-10-23(11-9-22)21-13-16-2-1-3-18(20)12-16/h1-7,12-13H,8-11,14H2/b21-13+.
What are the key properties of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine?
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-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-(3-fluorophenyl)methanimine is sourced from PubChem (CID 6878328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).