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

C19H22ClN3 — CID 879215

IUPACN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(C=NN2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H22ClN3/c1-16-3-2-4-18(13-16)14-21-23-11-9-22(10-12-23)15-17-5-7-19(20)8-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyVMCAENBAGVAOGA-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.80
Rot. Bonds4

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

N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine (PubChem CID 879215) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine
PubChem CID879215
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC NameN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(C=NN2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H22ClN3/c1-16-3-2-4-18(13-16)14-21-23-11-9-22(10-12-23)15-17-5-7-19(20)8-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyVMCAENBAGVAOGA-UHFFFAOYSA-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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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
3-[(Z)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 5402515
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
(E)-1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 5347583
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
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
CID 6879393
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
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
2,6-ditert-butyl-4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 2143746

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine?
The IUPAC name of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine (CID 879215) is N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine is Cc1cccc(C=NN2CCN(Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine?
The InChIKey is VMCAENBAGVAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-16-3-2-4-18(13-16)14-21-23-11-9-22(10-12-23)15-17-5-7-19(20)8-6-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine?
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-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 N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 879215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).