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

C18H20Cl2FN3 — CID 5342872

IUPAC(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride
SMILESCl.Fc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H19ClFN3.ClH/c19-17-7-3-1-6-16(17)14-22-9-11-23(12-10-22)21-13-15-5-2-4-8-18(15)20;/h1-8,13H,9-12,14H2;1H/b21-13+;
InChIKeyCZDDPIAKDRMWER-PGCULMPHSA-N
MW368.28 g/mol
LogP4.05
Rot. Bonds4

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

(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride (PubChem CID 5342872) has the molecular formula C18H20Cl2FN3 and a molecular weight of 368.28 g/mol. Its IUPAC name is (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride.

Molecular Properties

Compound Name(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride
PubChem CID5342872
Molecular FormulaC18H20Cl2FN3
Molecular Weight368.28 g/mol
Exact Mass367.10
IUPAC Name(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride
SMILESCl.Fc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H19ClFN3.ClH/c19-17-7-3-1-6-16(17)14-22-9-11-23(12-10-22)21-13-15-5-2-4-8-18(15)20;/h1-8,13H,9-12,14H2;1H/b21-13+;
InChIKeyCZDDPIAKDRMWER-PGCULMPHSA-N
XLogP4.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride?
The IUPAC name of (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride (CID 5342872) is (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride.
What is the SMILES notation for (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride?
The canonical SMILES for (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride is Cl.Fc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride?
The InChIKey is CZDDPIAKDRMWER-PGCULMPHSA-N. The full InChI is InChI=1S/C18H19ClFN3.ClH/c19-17-7-3-1-6-16(17)14-22-9-11-23(12-10-22)21-13-15-5-2-4-8-18(15)20;/h1-8,13H,9-12,14H2;1H/b21-13+;.
What are the key properties of (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride?
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride has a molecular weight of 368.28 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine;hydrochloride is sourced from PubChem (CID 5342872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).