1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine

C15H21BrN2 — CID 82758492

IUPAC1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine
SMILESCc1ccc(Br)c(N2CC(C3CC3)NCC2C)c1
InChIInChI=1S/C15H21BrN2/c1-10-3-6-13(16)15(7-10)18-9-14(12-4-5-12)17-8-11(18)2/h3,6-7,11-12,14,17H,4-5,8-9H2,1-2H3
InChIKeyZHLTVQIUSDVOPF-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.33
Rot. Bonds2

About 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine

1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine (PubChem CID 82758492) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine
PubChem CID82758492
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine
SMILESCc1ccc(Br)c(N2CC(C3CC3)NCC2C)c1
InChIInChI=1S/C15H21BrN2/c1-10-3-6-13(16)15(7-10)18-9-14(12-4-5-12)17-8-11(18)2/h3,6-7,11-12,14,17H,4-5,8-9H2,1-2H3
InChIKeyZHLTVQIUSDVOPF-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine (CID 82758492) is 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine is Cc1ccc(Br)c(N2CC(C3CC3)NCC2C)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine?
The InChIKey is ZHLTVQIUSDVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-10-3-6-13(16)15(7-10)18-9-14(12-4-5-12)17-8-11(18)2/h3,6-7,11-12,14,17H,4-5,8-9H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine?
1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine has a molecular weight of 309.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine is sourced from PubChem (CID 82758492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).