N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine

C19H20Cl3N3 — CID 23824068

IUPACN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine
SMILESCC(=NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl3N3/c1-14(17-7-6-16(20)12-19(17)22)23-25-10-8-24(9-11-25)13-15-4-2-3-5-18(15)21/h2-7,12H,8-11,13H2,1H3
InChIKeyUMSBCYYEBAYQDO-UHFFFAOYSA-N
MW396.75 g/mol
LogP5.19
Rot. Bonds4

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

N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine (PubChem CID 23824068) has the molecular formula C19H20Cl3N3 and a molecular weight of 396.75 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine
PubChem CID23824068
Molecular FormulaC19H20Cl3N3
Molecular Weight396.75 g/mol
Exact Mass395.07
IUPAC NameN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine
SMILESCC(=NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl3N3/c1-14(17-7-6-16(20)12-19(17)22)23-25-10-8-24(9-11-25)13-15-4-2-3-5-18(15)21/h2-7,12H,8-11,13H2,1H3
InChIKeyUMSBCYYEBAYQDO-UHFFFAOYSA-N
XLogP5.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine (CID 23824068) is N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine is CC(=NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine?
The InChIKey is UMSBCYYEBAYQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3/c1-14(17-7-6-16(20)12-19(17)22)23-25-10-8-24(9-11-25)13-15-4-2-3-5-18(15)21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine?
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine has a molecular weight of 396.75 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2,4-dichlorophenyl)ethanimine is sourced from PubChem (CID 23824068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).