1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine

C15H21BrN2 — CID 64924297

IUPAC1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
SMILESCc1cc(Br)ccc1N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C15H21BrN2/c1-11-9-13(16)5-6-14(11)18-8-7-17-15(2,10-18)12-3-4-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyRGBRMMIOYISNGF-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine

1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine (PubChem CID 64924297) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
PubChem CID64924297
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
SMILESCc1cc(Br)ccc1N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C15H21BrN2/c1-11-9-13(16)5-6-14(11)18-8-7-17-15(2,10-18)12-3-4-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyRGBRMMIOYISNGF-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine (CID 64924297) is 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine is Cc1cc(Br)ccc1N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine?
The InChIKey is RGBRMMIOYISNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11-9-13(16)5-6-14(11)18-8-7-17-15(2,10-18)12-3-4-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine?
1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine has a molecular weight of 309.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine is sourced from PubChem (CID 64924297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).