1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine

C15H23BrN2O — CID 2267460

IUPAC1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
SMILESCN1CCN(CCCCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-9-11-18(12-10-17)8-2-3-13-19-15-6-4-14(16)5-7-15/h4-7H,2-3,8-13H2,1H3
InChIKeyKVFMJTVBRNAMBH-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.86
Rot. Bonds6

About 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine

1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine (PubChem CID 2267460) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
PubChem CID2267460
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
SMILESCN1CCN(CCCCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-9-11-18(12-10-17)8-2-3-13-19-15-6-4-14(16)5-7-15/h4-7H,2-3,8-13H2,1H3
InChIKeyKVFMJTVBRNAMBH-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
CID 146051025
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine
CID 2299895
N-[2-(4-bromophenoxy)ethyl]-4-methylpiperazin-1-amine
CID 83021906
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
CID 2996696

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine (CID 2267460) is 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine is CN1CCN(CCCCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine?
The InChIKey is KVFMJTVBRNAMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-9-11-18(12-10-17)8-2-3-13-19-15-6-4-14(16)5-7-15/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine?
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine has a molecular weight of 327.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine is sourced from PubChem (CID 2267460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).