2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine

C17H26Cl2N2 — CID 64838151

IUPAC2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCCC(C)C1CNC(C)(C)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2/c1-5-12(2)16-9-20-17(3,4)11-21(16)10-13-6-7-14(18)15(19)8-13/h6-8,12,16,20H,5,9-11H2,1-4H3
InChIKeyXWFBADGUTYZKAU-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.59
Rot. Bonds4

About 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine

2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine (PubChem CID 64838151) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine
PubChem CID64838151
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCCC(C)C1CNC(C)(C)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2/c1-5-12(2)16-9-20-17(3,4)11-21(16)10-13-6-7-14(18)15(19)8-13/h6-8,12,16,20H,5,9-11H2,1-4H3
InChIKeyXWFBADGUTYZKAU-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine (CID 64838151) is 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine is CCC(C)C1CNC(C)(C)CN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is XWFBADGUTYZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-5-12(2)16-9-20-17(3,4)11-21(16)10-13-6-7-14(18)15(19)8-13/h6-8,12,16,20H,5,9-11H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine?
2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 329.31 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 64838151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).