1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride

C15H24BrCl2FN2 — CID 171308863

IUPAC1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccc(Br)c(F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22BrFN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)12-5-6-13(16)14(17)11-12;;/h5-6,11,15,18H,2-4,7-10H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyGPVZVBGAUUFIOT-CKUXDGONSA-N
MW402.18 g/mol
LogP4.57
Rot. Bonds5

About 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride

1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171308863) has the molecular formula C15H24BrCl2FN2 and a molecular weight of 402.18 g/mol. Its IUPAC name is 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
PubChem CID171308863
Molecular FormulaC15H24BrCl2FN2
Molecular Weight402.18 g/mol
Exact Mass400.05
IUPAC Name1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccc(Br)c(F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22BrFN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)12-5-6-13(16)14(17)11-12;;/h5-6,11,15,18H,2-4,7-10H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyGPVZVBGAUUFIOT-CKUXDGONSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.18
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171307566
1-[(1R)-1-(4-bromo-3-fluorophenyl)butyl]piperazine
CID 171168943
1-[(1S)-1-(4-bromo-3-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171275228
1-[(1S)-1-(4-bromo-3-fluorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163574
1-[(1R)-1-(4-bromo-3-fluorophenyl)propyl]piperazine
CID 171168921
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
1-[(1S)-1-(3,4-dibromophenyl)hexyl]piperazine
CID 171309713
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171163687
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686
1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171287878
1-[(1S)-1-(3-bromo-5-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309031
1-[(1S)-1-(3-fluoro-4-methylphenyl)hexyl]piperazine
CID 171164247

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride (CID 171308863) is 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1ccc(Br)c(F)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is GPVZVBGAUUFIOT-CKUXDGONSA-N. The full InChI is InChI=1S/C15H22BrFN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)12-5-6-13(16)14(17)11-12;;/h5-6,11,15,18H,2-4,7-10H2,1H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride?
1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 402.18 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).