1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride

C15H23BrClFN2 — CID 171163782

IUPAC1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
SMILESCC(C)(C)[C@@H](c1cc(F)ccc1Br)N1CCNCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-15(2,3)14(19-8-6-18-7-9-19)12-10-11(17)4-5-13(12)16;/h4-5,10,14,18H,6-9H2,1-3H3;1H/t14-;/m1./s1
InChIKeyCQWZAKJJOWZOBG-PFEQFJNWSA-N
MW365.72 g/mol
LogP4.00
Rot. Bonds2

About 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride

1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride (PubChem CID 171163782) has the molecular formula C15H23BrClFN2 and a molecular weight of 365.72 g/mol. Its IUPAC name is 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
PubChem CID171163782
Molecular FormulaC15H23BrClFN2
Molecular Weight365.72 g/mol
Exact Mass364.07
IUPAC Name1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
SMILESCC(C)(C)[C@@H](c1cc(F)ccc1Br)N1CCNCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-15(2,3)14(19-8-6-18-7-9-19)12-10-11(17)4-5-13(12)16;/h4-5,10,14,18H,6-9H2,1-3H3;1H/t14-;/m1./s1
InChIKeyCQWZAKJJOWZOBG-PFEQFJNWSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride
CID 171168266
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171162985
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
1-[(1S)-1-(4-fluoro-2-methylphenyl)-2,2-dimethylpropyl]piperazine
CID 171163582
(3S)-3-(2-bromo-5-fluorophenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171175674
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171459
2-bromo-6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171298149
1-[(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171275863
1-[(1S)-1-(3,5-difluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277274
1-[(1S)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171276834
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropyl]piperazine
CID 171169028
1-[(1S)-1-(2-bromo-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302555

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride (CID 171163782) is 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride is CC(C)(C)[C@@H](c1cc(F)ccc1Br)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride?
The InChIKey is CQWZAKJJOWZOBG-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H22BrFN2.ClH/c1-15(2,3)14(19-8-6-18-7-9-19)12-10-11(17)4-5-13(12)16;/h4-5,10,14,18H,6-9H2,1-3H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride?
1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride has a molecular weight of 365.72 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride is sourced from PubChem (CID 171163782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).