(E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C20H25ClN4O — CID 11849267

IUPAC(E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(\CCN1CCN(c2ccccn2)CC1C)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN4O/c1-16-15-25(20-5-3-4-11-22-20)14-13-24(16)12-10-19(23-26-2)17-6-8-18(21)9-7-17/h3-9,11,16H,10,12-15H2,1-2H3/b23-19+
InChIKeyMLMRVUPVIXISEB-FCDQGJHFSA-N
MW372.90 g/mol
LogP3.69
Rot. Bonds6

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

(E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11849267) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11849267
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name(E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(\CCN1CCN(c2ccccn2)CC1C)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN4O/c1-16-15-25(20-5-3-4-11-22-20)14-13-24(16)12-10-19(23-26-2)17-6-8-18(21)9-7-17/h3-9,11,16H,10,12-15H2,1-2H3/b23-19+
InChIKeyMLMRVUPVIXISEB-FCDQGJHFSA-N
XLogP3.69
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.69
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11849267) is (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CO/N=C(\CCN1CCN(c2ccccn2)CC1C)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is MLMRVUPVIXISEB-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-16-15-25(20-5-3-4-11-22-20)14-13-24(16)12-10-19(23-26-2)17-6-8-18(21)9-7-17/h3-9,11,16H,10,12-15H2,1-2H3/b23-19+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 372.90 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-methoxy-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11849267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).