1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine

C24H30Cl3N3 — CID 58956900

IUPAC1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1CC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H30Cl3N3/c1-17-14-28(2)11-12-29(17)15-18-3-10-24(22-9-6-20(26)13-23(22)27)30(16-18)21-7-4-19(25)5-8-21/h4-9,13,17-18,24H,3,10-12,14-16H2,1-2H3
InChIKeyBTPYKTMJKIWIDI-UHFFFAOYSA-N
MW466.88 g/mol
LogP6.24
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine

1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine (PubChem CID 58956900) has the molecular formula C24H30Cl3N3 and a molecular weight of 466.88 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine
PubChem CID58956900
Molecular FormulaC24H30Cl3N3
Molecular Weight466.88 g/mol
Exact Mass465.15
IUPAC Name1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1CC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H30Cl3N3/c1-17-14-28(2)11-12-29(17)15-18-3-10-24(22-9-6-20(26)13-23(22)27)30(16-18)21-7-4-19(25)5-8-21/h4-9,13,17-18,24H,3,10-12,14-16H2,1-2H3
InChIKeyBTPYKTMJKIWIDI-UHFFFAOYSA-N
XLogP6.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine?
The IUPAC name of 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine (CID 58956900) is 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine is CC1CN(C)CCN1CC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine?
The InChIKey is BTPYKTMJKIWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl3N3/c1-17-14-28(2)11-12-29(17)15-18-3-10-24(22-9-6-20(26)13-23(22)27)30(16-18)21-7-4-19(25)5-8-21/h4-9,13,17-18,24H,3,10-12,14-16H2,1-2H3.
What are the key properties of 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine?
1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine has a molecular weight of 466.88 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine is sourced from PubChem (CID 58956900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).