(E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

C12H16ClN3 — CID 6894058

IUPAC(E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(/N=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClN3/c1-15-6-8-16(9-7-15)14-10-11-2-4-12(13)5-3-11/h2-5,10H,6-9H2,1H3/b14-10+
InChIKeyYTOZUYUQAYEEQX-GXDHUFHOSA-N
MW237.73 g/mol
LogP1.92
Rot. Bonds2

About (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine

(E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 6894058) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID6894058
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name(E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(/N=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClN3/c1-15-6-8-16(9-7-15)14-10-11-2-4-12(13)5-3-11/h2-5,10H,6-9H2,1H3/b14-10+
InChIKeyYTOZUYUQAYEEQX-GXDHUFHOSA-N
XLogP1.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.92
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)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 6894058) is (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is CN1CCN(/N=C/c2ccc(Cl)cc2)CC1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is YTOZUYUQAYEEQX-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-15-6-8-16(9-7-15)14-10-11-2-4-12(13)5-3-11/h2-5,10H,6-9H2,1H3/b14-10+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine?
(E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 237.73 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6894058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).