1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine

C14H21BrN2 — CID 82308187

IUPAC1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2/c1-14(2)11-16-8-10-17(14)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyOGMQEXWMBIMHGR-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.68
Rot. Bonds3

About 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine

1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine (PubChem CID 82308187) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine
PubChem CID82308187
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2/c1-14(2)11-16-8-10-17(14)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyOGMQEXWMBIMHGR-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine (CID 82308187) is 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine is CC1(C)CNCCN1CCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine?
The InChIKey is OGMQEXWMBIMHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2)11-16-8-10-17(14)9-7-12-3-5-13(15)6-4-12/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine?
1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 82308187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).