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

C19H22ClN3 — CID 3383332

IUPAC1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
SMILESCc1ccc(CN2CCN(N=Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H22ClN3/c1-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)21-14-18-4-2-3-5-19(18)20/h2-9,14H,10-13,15H2,1H3
InChIKeyURRRVATYNFBLTP-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.80
Rot. Bonds4

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

1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine (PubChem CID 3383332) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
PubChem CID3383332
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
SMILESCc1ccc(CN2CCN(N=Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H22ClN3/c1-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)21-14-18-4-2-3-5-19(18)20/h2-9,14H,10-13,15H2,1H3
InChIKeyURRRVATYNFBLTP-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

2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine
CID 2143721
1-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 2794205
N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine
CID 2794234
(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride
CID 44723897
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 6105625
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,3,4-trimethoxyphenyl)methanimine
CID 6261646
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine
CID 5343531
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine (CID 3383332) is 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine is Cc1ccc(CN2CCN(N=Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The InChIKey is URRRVATYNFBLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)21-14-18-4-2-3-5-19(18)20/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]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 1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine is sourced from PubChem (CID 3383332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).