1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine

C22H26Cl3NO — CID 71176216

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26Cl3NO/c1-15(2)13-27-14-16-3-10-22(20-9-6-18(24)11-21(20)25)26(12-16)19-7-4-17(23)5-8-19/h4-9,11,15-16,22H,3,10,12-14H2,1-2H3
InChIKeyITBQWWWUQINDGG-UHFFFAOYSA-N
MW426.82 g/mol
LogP7.28
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine (PubChem CID 71176216) has the molecular formula C22H26Cl3NO and a molecular weight of 426.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine
PubChem CID71176216
Molecular FormulaC22H26Cl3NO
Molecular Weight426.82 g/mol
Exact Mass425.11
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26Cl3NO/c1-15(2)13-27-14-16-3-10-22(20-9-6-18(24)11-21(20)25)26(12-16)19-7-4-17(23)5-8-19/h4-9,11,15-16,22H,3,10,12-14H2,1-2H3
InChIKeyITBQWWWUQINDGG-UHFFFAOYSA-N
XLogP7.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.82
LogP ≤ 57.28
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)-5-(2-methylpropoxymethyl)piperidine?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine (CID 71176216) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine is CC(C)COCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine?
The InChIKey is ITBQWWWUQINDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl3NO/c1-15(2)13-27-14-16-3-10-22(20-9-6-18(24)11-21(20)25)26(12-16)19-7-4-17(23)5-8-19/h4-9,11,15-16,22H,3,10,12-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine has a molecular weight of 426.82 g/mol, XLogP of 7.28, 6 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)-5-(2-methylpropoxymethyl)piperidine is sourced from PubChem (CID 71176216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).