4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one

C13H17BrN2O2 — CID 64694771

IUPAC4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CCOc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C13H17BrN2O2/c1-15-6-7-16(10-13(15)17)8-9-18-12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3
InChIKeyJELIJWYSQILXRL-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.60
Rot. Bonds4

About 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one

4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one (PubChem CID 64694771) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
PubChem CID64694771
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CCOc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C13H17BrN2O2/c1-15-6-7-16(10-13(15)17)8-9-18-12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3
InChIKeyJELIJWYSQILXRL-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64682601
4-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64695385
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
4-[2-(4-bromophenoxy)ethyl]-1,4-diazepan-2-one
CID 62898000
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824
4-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64695183
1-[4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenyl]ethanone
CID 8591809
2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862695
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione
CID 54970412
1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one (CID 64694771) is 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one is CN1CCN(CCOc2ccc(Br)cc2)CC1=O.
What is the InChIKey of 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one?
The InChIKey is JELIJWYSQILXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-15-6-7-16(10-13(15)17)8-9-18-12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3.
What are the key properties of 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one?
4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one has a molecular weight of 313.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64694771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).