(Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine

C20H24Cl2N3+ — CID 7745954

IUPAC(Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine
SMILESC/C(=N/N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3/c1-15-3-5-17(6-4-15)14-24-9-11-25(12-10-24)23-16(2)19-8-7-18(21)13-20(19)22/h3-8,13H,9-12,14H2,1-2H3/p+1/b23-16-
InChIKeyJNJIZEMOEBEWJC-KQWNVCNZSA-O
MW377.34 g/mol
LogP3.43
Rot. Bonds4

About (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine

(Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine (PubChem CID 7745954) has the molecular formula C20H24Cl2N3+ and a molecular weight of 377.34 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine.

Molecular Properties

Compound Name(Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine
PubChem CID7745954
Molecular FormulaC20H24Cl2N3+
Molecular Weight377.34 g/mol
Exact Mass376.13
IUPAC Name(Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine
SMILESC/C(=N/N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3/c1-15-3-5-17(6-4-15)14-24-9-11-25(12-10-24)23-16(2)19-8-7-18(21)13-20(19)22/h3-8,13H,9-12,14H2,1-2H3/p+1/b23-16-
InChIKeyJNJIZEMOEBEWJC-KQWNVCNZSA-O
XLogP3.43
TPSA20.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-naphthalen-2-ylethanimine
CID 7422706
(E)-1-(3-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine
CID 6880210
1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
CID 4755596
4-[(4-chlorophenyl)methyl]-N-methylpiperazin-4-ium-1-carbothioamide
CID 8696399
(E)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylmethanimine
CID 6879368
2,4-dichloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
CID 9226177
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine
CID 7784228
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)ethanimine
CID 6973039
N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
CID 6939888
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1417002
(E)-1-(3,4-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine
CID 6895199
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)ethanimine
CID 6960710

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine?
The IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine (CID 7745954) is (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine.
What is the SMILES notation for (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine?
The canonical SMILES for (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine is C/C(=N/N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine?
The InChIKey is JNJIZEMOEBEWJC-KQWNVCNZSA-O. The full InChI is InChI=1S/C20H23Cl2N3/c1-15-3-5-17(6-4-15)14-24-9-11-25(12-10-24)23-16(2)19-8-7-18(21)13-20(19)22/h3-8,13H,9-12,14H2,1-2H3/p+1/b23-16-.
What are the key properties of (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine?
(Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine has a molecular weight of 377.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dichlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanimine is sourced from PubChem (CID 7745954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).