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

C23H29Cl3N2 — CID 143508383

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine
SMILESCN1CCCCC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N.C6H13N/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-7-5-3-2-4-6-7/h4-9,11,17H,1-3,10H2;2-6H2,1H3
InChIKeyFSDVTJOXJGETIN-UHFFFAOYSA-N
MW439.86 g/mol
LogP7.48
Rot. Bonds2

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

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine (PubChem CID 143508383) has the molecular formula C23H29Cl3N2 and a molecular weight of 439.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine
PubChem CID143508383
Molecular FormulaC23H29Cl3N2
Molecular Weight439.86 g/mol
Exact Mass438.14
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine
SMILESCN1CCCCC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N.C6H13N/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-7-5-3-2-4-6-7/h4-9,11,17H,1-3,10H2;2-6H2,1H3
InChIKeyFSDVTJOXJGETIN-UHFFFAOYSA-N
XLogP7.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.86
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine (CID 143508383) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine is CN1CCCCC1.Clc1ccc(N2CCCCC2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine?
The InChIKey is FSDVTJOXJGETIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N.C6H13N/c18-12-4-7-14(8-5-12)21-10-2-1-3-17(21)15-9-6-13(19)11-16(15)20;1-7-5-3-2-4-6-7/h4-9,11,17H,1-3,10H2;2-6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine has a molecular weight of 439.86 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)piperidine;1-methylpiperidine is sourced from PubChem (CID 143508383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).