1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine

C16H25BrN2O — CID 64832830

IUPAC1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CCOc2cccc(Br)c2)CCN1
InChIInChI=1S/C16H25BrN2O/c1-13(2)10-15-12-19(7-6-18-15)8-9-20-16-5-3-4-14(17)11-16/h3-5,11,13,15,18H,6-10,12H2,1-2H3
InChIKeyPWNIKBIZMWVYMJ-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine

1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine (PubChem CID 64832830) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine
PubChem CID64832830
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CCOc2cccc(Br)c2)CCN1
InChIInChI=1S/C16H25BrN2O/c1-13(2)10-15-12-19(7-6-18-15)8-9-20-16-5-3-4-14(17)11-16/h3-5,11,13,15,18H,6-10,12H2,1-2H3
InChIKeyPWNIKBIZMWVYMJ-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine
CID 64832801
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
1-[2-(3-bromophenoxy)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64832893
1-[2-(3-bromophenoxy)ethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 62959239
6-[2-(3-bromophenoxy)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682101
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846879
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82907814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine (CID 64832830) is 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine is CC(C)CC1CN(CCOc2cccc(Br)c2)CCN1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine?
The InChIKey is PWNIKBIZMWVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-13(2)10-15-12-19(7-6-18-15)8-9-20-16-5-3-4-14(17)11-16/h3-5,11,13,15,18H,6-10,12H2,1-2H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine?
1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine has a molecular weight of 341.29 g/mol, XLogP of 3.15, 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]-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64832830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).