1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine

C22H28Cl3N3 — CID 143508379

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine
SMILESCN1CCNCC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N.C5H12N2/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-7-4-2-6-3-5-7/h4-9,11,17H,1-3,10H2;6H,2-5H2,1H3
InChIKeyQHUUFUAEQXCDLU-UHFFFAOYSA-N
MW440.85 g/mol
LogP5.90
Rot. Bonds2

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine (PubChem CID 143508379) has the molecular formula C22H28Cl3N3 and a molecular weight of 440.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine
PubChem CID143508379
Molecular FormulaC22H28Cl3N3
Molecular Weight440.85 g/mol
Exact Mass439.13
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine
SMILESCN1CCNCC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N.C5H12N2/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-7-4-2-6-3-5-7/h4-9,11,17H,1-3,10H2;6H,2-5H2,1H3
InChIKeyQHUUFUAEQXCDLU-UHFFFAOYSA-N
XLogP5.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.85
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine
CID 143508383
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;N-ethylcyclopropanesulfinamide
CID 143508583
1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone
CID 58956949
1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine
CID 58956900
(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid
CID 58956898
1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine
CID 71176030
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane
CID 3089207
2-(4-chlorophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932722
(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 46230073
1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine
CID 66735743
1-(7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine
CID 82246990

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine (CID 143508379) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine is CN1CCNCC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine?
The InChIKey is QHUUFUAEQXCDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N.C5H12N2/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-7-4-2-6-3-5-7/h4-9,11,17H,1-3,10H2;6H,2-5H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine has a molecular weight of 440.85 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperazine is sourced from PubChem (CID 143508379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).