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

C19H22ClN3 — CID 5347766

IUPAC(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine
SMILESCc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3/c1-16-4-2-3-5-18(16)14-21-23-12-10-22(11-13-23)15-17-6-8-19(20)9-7-17/h2-9,14H,10-13,15H2,1H3/b21-14+
InChIKeyUIOPAVMKFJOFCQ-KGENOOAVSA-N
MW327.86 g/mol
LogP3.80
Rot. Bonds4

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

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine (PubChem CID 5347766) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine
PubChem CID5347766
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine
SMILESCc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3/c1-16-4-2-3-5-18(16)14-21-23-12-10-22(11-13-23)15-17-6-8-19(20)9-7-17/h2-9,14H,10-13,15H2,1H3/b21-14+
InChIKeyUIOPAVMKFJOFCQ-KGENOOAVSA-N
XLogP3.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.80
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-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine?
The IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine (CID 5347766) is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine?
The canonical SMILES for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine is Cc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine?
The InChIKey is UIOPAVMKFJOFCQ-KGENOOAVSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-16-4-2-3-5-18(16)14-21-23-12-10-22(11-13-23)15-17-6-8-19(20)9-7-17/h2-9,14H,10-13,15H2,1H3/b21-14+.
What are the key properties of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine?
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methylphenyl)methanimine has a molecular weight of 327.86 g/mol, XLogP of 3.80, 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-(2-methylphenyl)methanimine is sourced from PubChem (CID 5347766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).