4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine

C13H18Cl2N2 — CID 11514596

IUPAC4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine
SMILESCC1CN(c2ccc(Cl)c(Cl)c2)CC(C)N1C
InChIInChI=1S/C13H18Cl2N2/c1-9-7-17(8-10(2)16(9)3)11-4-5-12(14)13(15)6-11/h4-6,9-10H,7-8H2,1-3H3
InChIKeyGFTNJKQACYLZBC-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.52
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine

4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine (PubChem CID 11514596) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine
PubChem CID11514596
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine
SMILESCC1CN(c2ccc(Cl)c(Cl)c2)CC(C)N1C
InChIInChI=1S/C13H18Cl2N2/c1-9-7-17(8-10(2)16(9)3)11-4-5-12(14)13(15)6-11/h4-6,9-10H,7-8H2,1-3H3
InChIKeyGFTNJKQACYLZBC-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine?
The IUPAC name of 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine (CID 11514596) is 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine is CC1CN(c2ccc(Cl)c(Cl)c2)CC(C)N1C.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine?
The InChIKey is GFTNJKQACYLZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9-7-17(8-10(2)16(9)3)11-4-5-12(14)13(15)6-11/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine?
4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine has a molecular weight of 273.21 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine is sourced from PubChem (CID 11514596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).