(E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C19H22Cl2N4O — CID 11200205

IUPAC(E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4O/c1-26-23-18(15-5-6-16(20)17(21)14-15)7-9-24-10-12-25(13-11-24)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13H2,1H3/b23-18+
InChIKeySQHFBAQRSSHFTD-PTGBLXJZSA-N
MW393.32 g/mol
LogP3.95
Rot. Bonds6

About (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

(E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11200205) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11200205
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC Name(E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4O/c1-26-23-18(15-5-6-16(20)17(21)14-15)7-9-24-10-12-25(13-11-24)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13H2,1H3/b23-18+
InChIKeySQHFBAQRSSHFTD-PTGBLXJZSA-N
XLogP3.95
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11200205) is (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is SQHFBAQRSSHFTD-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H22Cl2N4O/c1-26-23-18(15-5-6-16(20)17(21)14-15)7-9-24-10-12-25(13-11-24)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13H2,1H3/b23-18+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 393.32 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dichlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11200205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).