1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine

C13H19BrN2 — CID 139516195

IUPAC1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine
SMILESCc1cc(C)c(N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-8-11(2)13(12(14)9-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3
InChIKeyNBXVLVRNVYFOHX-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.82
Rot. Bonds1

About 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine

1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine (PubChem CID 139516195) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine
PubChem CID139516195
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine
SMILESCc1cc(C)c(N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-8-11(2)13(12(14)9-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3
InChIKeyNBXVLVRNVYFOHX-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine (CID 139516195) is 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine is Cc1cc(C)c(N2CCN(C)CC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine?
The InChIKey is NBXVLVRNVYFOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-8-11(2)13(12(14)9-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine?
1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine has a molecular weight of 283.21 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine is sourced from PubChem (CID 139516195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).