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

C19H21ClFN3 — CID 7464662

IUPAC(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3/c1-15(17-4-8-19(21)9-5-17)22-24-12-10-23(11-13-24)14-16-2-6-18(20)7-3-16/h2-9H,10-14H2,1H3/b22-15+
InChIKeyRXUJMBIGYUEQJD-PXLXIMEGSA-N
MW345.85 g/mol
LogP4.02
Rot. Bonds4

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

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine (PubChem CID 7464662) has the molecular formula C19H21ClFN3 and a molecular weight of 345.85 g/mol. Its IUPAC name is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine
PubChem CID7464662
Molecular FormulaC19H21ClFN3
Molecular Weight345.85 g/mol
Exact Mass345.14
IUPAC Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3/c1-15(17-4-8-19(21)9-5-17)22-24-12-10-23(11-13-24)14-16-2-6-18(20)7-3-16/h2-9H,10-14H2,1H3/b22-15+
InChIKeyRXUJMBIGYUEQJD-PXLXIMEGSA-N
XLogP4.02
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine?
The IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine (CID 7464662) is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine is C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine?
The InChIKey is RXUJMBIGYUEQJD-PXLXIMEGSA-N. The full InChI is InChI=1S/C19H21ClFN3/c1-15(17-4-8-19(21)9-5-17)22-24-12-10-23(11-13-24)14-16-2-6-18(20)7-3-16/h2-9H,10-14H2,1H3/b22-15+.
What are the key properties of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine?
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)ethanimine has a molecular weight of 345.85 g/mol, XLogP of 4.02, 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)ethanimine is sourced from PubChem (CID 7464662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).