(Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C19H22ClFN4O — CID 11222637

IUPAC(Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN4O/c1-26-23-18(15-5-6-17(21)16(20)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-
InChIKeyLTECTMXOGCEIFY-NKFKGCMQSA-N
MW376.86 g/mol
LogP3.44
Rot. Bonds6

About (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

(Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11222637) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11222637
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC Name(Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN4O/c1-26-23-18(15-5-6-17(21)16(20)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-
InChIKeyLTECTMXOGCEIFY-NKFKGCMQSA-N
XLogP3.44
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.44
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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Related Compounds

Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
2-[4-[3-(3-Chlorophenyl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
CID 87550873
2-((4-chlorobenzyl)(pyridin-2-yl)amino)-N,N,N-trimethylethanaminium iodide
CID 9551614
8-Chloro-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
CID 9927411
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 9946897
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-sec-butyl-phenyl)-amide
CID 10126339
Z-1-Phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one OEthyloxime
CID 11151919
(Z)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)propan-1-one O-methyloxime
CID 11151920
(Z)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Om-ethyloxime
CID 11163137
(E)-1-(3,5-difluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-propan-1-one O-methyloxime
CID 11164276
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-isopropyloxime
CID 11175610

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11222637) is (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is LTECTMXOGCEIFY-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H22ClFN4O/c1-26-23-18(15-5-6-17(21)16(20)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 (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 376.86 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-chloro-4-fluorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11222637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).