1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride

C15H23BrClFN2 — CID 171169412

IUPAC1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
SMILESCC(C)(C)[C@H](c1c(F)cccc1Br)N1CCNCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-15(2,3)14(19-9-7-18-8-10-19)13-11(16)5-4-6-12(13)17;/h4-6,14,18H,7-10H2,1-3H3;1H/t14-;/m0./s1
InChIKeyZMDNBTDXAIORKS-UQKRIMTDSA-N
MW365.72 g/mol
LogP4.00
Rot. Bonds2

About 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride

1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride (PubChem CID 171169412) has the molecular formula C15H23BrClFN2 and a molecular weight of 365.72 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
PubChem CID171169412
Molecular FormulaC15H23BrClFN2
Molecular Weight365.72 g/mol
Exact Mass364.07
IUPAC Name1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
SMILESCC(C)(C)[C@H](c1c(F)cccc1Br)N1CCNCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-15(2,3)14(19-9-7-18-8-10-19)13-11(16)5-4-6-12(13)17;/h4-6,14,18H,7-10H2,1-3H3;1H/t14-;/m0./s1
InChIKeyZMDNBTDXAIORKS-UQKRIMTDSA-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

1-[(1S)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171163897
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171274073
1-[(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171164728
1-[(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277709
1-[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171165534
1-[(1R)-1-(3-bromo-2,6-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 171170095
(3R)-3-(2-bromo-6-fluorophenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179151
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,6-difluorophenol;dihydrochloride
CID 171297630
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 171171613
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-dimethylpropyl]piperazine
CID 171166562
(3S)-3-(2,6-difluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179281

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride (CID 171169412) is 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride is CC(C)(C)[C@H](c1c(F)cccc1Br)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride?
The InChIKey is ZMDNBTDXAIORKS-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H22BrFN2.ClH/c1-15(2,3)14(19-9-7-18-8-10-19)13-11(16)5-4-6-12(13)17;/h4-6,14,18H,7-10H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride?
1-[(1R)-1-(2-bromo-6-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-[(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride is sourced from PubChem (CID 171169412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).