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

C17H27BrN2O — CID 64837750

IUPAC1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C)CN1CCOc1cccc(Br)c1
InChIInChI=1S/C17H27BrN2O/c1-4-6-15-12-19-17(2,3)13-20(15)9-10-21-16-8-5-7-14(18)11-16/h5,7-8,11,15,19H,4,6,9-10,12-13H2,1-3H3
InChIKeyNQDURJOVKLFGBF-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.68
Rot. Bonds6

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

1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine (PubChem CID 64837750) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine
PubChem CID64837750
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C)CN1CCOc1cccc(Br)c1
InChIInChI=1S/C17H27BrN2O/c1-4-6-15-12-19-17(2,3)13-20(15)9-10-21-16-8-5-7-14(18)11-16/h5,7-8,11,15,19H,4,6,9-10,12-13H2,1-3H3
InChIKeyNQDURJOVKLFGBF-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840072
1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837940
1-[2-(3-bromophenoxy)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64832893
1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837942
1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
CID 64843936
3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine
CID 84712644
5-[2-(3-bromophenoxy)ethyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208929
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846879
3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
CID 79451126
1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64947274
5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116627433

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine (CID 64837750) is 1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine is CCCC1CNC(C)(C)CN1CCOc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine?
The InChIKey is NQDURJOVKLFGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-6-15-12-19-17(2,3)13-20(15)9-10-21-16-8-5-7-14(18)11-16/h5,7-8,11,15,19H,4,6,9-10,12-13H2,1-3H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine?
1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine has a molecular weight of 355.32 g/mol, XLogP of 3.68, 6 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]-5,5-dimethyl-2-propylpiperazine is sourced from PubChem (CID 64837750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).