1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine

C15H23BrN2 — CID 64845316

IUPAC1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)CN1Cc1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-4-15(3)11-17-12(2)9-18(15)10-13-7-5-6-8-14(13)16/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyCPSNKZLUSUZTDK-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.41
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine

1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine (PubChem CID 64845316) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
PubChem CID64845316
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)CN1Cc1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-4-15(3)11-17-12(2)9-18(15)10-13-7-5-6-8-14(13)16/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyCPSNKZLUSUZTDK-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine (CID 64845316) is 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine is CCC1(C)CNC(C)CN1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The InChIKey is CPSNKZLUSUZTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-4-15(3)11-17-12(2)9-18(15)10-13-7-5-6-8-14(13)16/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine has a molecular weight of 311.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64845316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).