1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine

C15H23BrN2O — CID 64843936

IUPAC1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
SMILESCC1CN(CCOc2cccc(Br)c2)C(C)(C)CN1
InChIInChI=1S/C15H23BrN2O/c1-12-10-18(15(2,3)11-17-12)7-8-19-14-6-4-5-13(16)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3
InChIKeyOVDPNJCPSYVGBV-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine

1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine (PubChem CID 64843936) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
PubChem CID64843936
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
SMILESCC1CN(CCOc2cccc(Br)c2)C(C)(C)CN1
InChIInChI=1S/C15H23BrN2O/c1-12-10-18(15(2,3)11-17-12)7-8-19-14-6-4-5-13(16)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3
InChIKeyOVDPNJCPSYVGBV-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5-trimethyl-1-(2-phenoxyethyl)piperazine
CID 64844519
1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846879
2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine
CID 64845908
1-[2-(3-bromophenoxy)ethyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64874895
3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine
CID 84712644
1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine
CID 64837750
1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64844916
2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
1-[2-(3-bromophenoxy)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64832893
1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine
CID 64832830
1-[2-(3-bromophenoxy)ethyl]-4-(2-chloroethyl)-1,4-diazepane
CID 63387700
3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
CID 79451126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine (CID 64843936) is 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine is CC1CN(CCOc2cccc(Br)c2)C(C)(C)CN1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine?
The InChIKey is OVDPNJCPSYVGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12-10-18(15(2,3)11-17-12)7-8-19-14-6-4-5-13(16)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine?
1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine has a molecular weight of 327.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64843936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).