1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine

C16H23BrN2 — CID 64935270

IUPAC1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine
SMILESCc1ccc(N2CC(C)(C3CC3)NCC2C)c(Br)c1
InChIInChI=1S/C16H23BrN2/c1-11-4-7-15(14(17)8-11)19-10-16(3,13-5-6-13)18-9-12(19)2/h4,7-8,12-13,18H,5-6,9-10H2,1-3H3
InChIKeyJRURQMYWFDAAFT-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.72
Rot. Bonds2

About 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine

1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine (PubChem CID 64935270) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine
PubChem CID64935270
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine
SMILESCc1ccc(N2CC(C)(C3CC3)NCC2C)c(Br)c1
InChIInChI=1S/C16H23BrN2/c1-11-4-7-15(14(17)8-11)19-10-16(3,13-5-6-13)18-9-12(19)2/h4,7-8,12-13,18H,5-6,9-10H2,1-3H3
InChIKeyJRURQMYWFDAAFT-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(2,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 64934485
1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine
CID 82759229
5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine
CID 103587634
5-cyclopropyl-2,5-dimethyl-1-phenylpiperazine
CID 64932614
1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64934721
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246
1-(2-chloro-4-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64942415
1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924297
1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924308
5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
CID 64932628
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 107617330
2-[4-(2-bromo-4-methylphenyl)-5-methyl-1,4-diazepan-2-yl]acetonitrile
CID 84605117

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine (CID 64935270) is 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine is Cc1ccc(N2CC(C)(C3CC3)NCC2C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine?
The InChIKey is JRURQMYWFDAAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-11-4-7-15(14(17)8-11)19-10-16(3,13-5-6-13)18-9-12(19)2/h4,7-8,12-13,18H,5-6,9-10H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine?
1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine has a molecular weight of 323.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64935270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).