(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

C12H15Cl2N3 — CID 6877275

IUPAC(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(/N=C/c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3/b15-9+
InChIKeyKIYSHYZINRZPMH-OQLLNIDSSA-N
MW272.18 g/mol
LogP2.57
Rot. Bonds2

About (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 6877275) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID6877275
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(/N=C/c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3/b15-9+
InChIKeyKIYSHYZINRZPMH-OQLLNIDSSA-N
XLogP2.57
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.57
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

CID 256049
CID 256049
N1-(4-chlorobenzylidene)piperidin-1-amine
CID 9583571
(E)-1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine;hydrochloride
CID 16239610
(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)ethanimine;hydrochloride
CID 16241266
3,4-Dichlorobenzaldehyde azine
CID 9615501
(1Z,2E)-Bis[(3,4-dichlorophenyl)methylidene]hydrazine
CID 54599291
1-(4-chlorophenyl)-N-piperidin-1-ylmethanimine
CID 2806319
N-[(E)-(4-chlorophenyl)methylidene]-4-methylpiperazin-1-amine
CID 6894058
N-(3,4-Dichlorobenzylidene)-1-azepanamine
CID 9568270
N'-(3,4-dichlorobenzylidene)-2-(4-ethyl-1-piperazinyl)acetohydrazide
CID 6894707
N-(4-(4-Chlorobenzyl)-1-piperazinyl)-N-(3,4-dichlorobenzylidene)amine
CID 5343444
1-(2-chloro-6-fluorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 2343726

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 6877275) is (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is CN1CCN(/N=C/c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is KIYSHYZINRZPMH-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c1-16-4-6-17(7-5-16)15-9-10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3/b15-9+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
(E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 272.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6877275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).