1-[1-(4-bromophenyl)-3-methylbutyl]piperazine

C15H23BrN2 — CID 82308912

IUPAC1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
SMILESCC(C)CC(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C15H23BrN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyORSNPKHLTWEYGM-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine

1-[1-(4-bromophenyl)-3-methylbutyl]piperazine (PubChem CID 82308912) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
PubChem CID82308912
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
SMILESCC(C)CC(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C15H23BrN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyORSNPKHLTWEYGM-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058
1-[(1R)-3-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine;dihydrochloride
CID 171294587
1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171163329
1-[(1S)-1-(3,4-dimethylphenyl)-3-methylbutyl]piperazine
CID 95467094
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171278259
1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
CID 171276286
trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171291668
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-3-methylbutyl]piperazine
CID 171278085
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine?
The IUPAC name of 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine (CID 82308912) is 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine is CC(C)CC(c1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine?
The InChIKey is ORSNPKHLTWEYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine?
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine has a molecular weight of 311.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-3-methylbutyl]piperazine is sourced from PubChem (CID 82308912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).