1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine

C15H21BrN2O — CID 82861136

IUPAC1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine
SMILESCOc1cc(N2CC(C3CC3)NCC2C)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-10-8-17-14(11-3-4-11)9-18(10)12-5-6-13(16)15(7-12)19-2/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3
InChIKeyWEJYWWVQDSJTAF-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine

1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine (PubChem CID 82861136) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine
PubChem CID82861136
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine
SMILESCOc1cc(N2CC(C3CC3)NCC2C)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-10-8-17-14(11-3-4-11)9-18(10)12-5-6-13(16)15(7-12)19-2/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3
InChIKeyWEJYWWVQDSJTAF-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine (CID 82861136) is 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine is COc1cc(N2CC(C3CC3)NCC2C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine?
The InChIKey is WEJYWWVQDSJTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-8-17-14(11-3-4-11)9-18(10)12-5-6-13(16)15(7-12)19-2/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine?
1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine has a molecular weight of 325.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine is sourced from PubChem (CID 82861136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).