1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride

C17H27ClF2N2O — CID 171173084

IUPAC1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
SMILESCCCCC[C@H](c1c(F)cc(OC)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C17H26F2N2O.ClH/c1-3-4-5-6-16(21-9-7-20-8-10-21)17-14(18)11-13(22-2)12-15(17)19;/h11-12,16,20H,3-10H2,1-2H3;1H/t16-;/m1./s1
InChIKeyHUUBNCICHVLJMF-PKLMIRHRSA-N
MW348.87 g/mol
LogP3.92
Rot. Bonds7

About 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride

1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride (PubChem CID 171173084) has the molecular formula C17H27ClF2N2O and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
PubChem CID171173084
Molecular FormulaC17H27ClF2N2O
Molecular Weight348.87 g/mol
Exact Mass348.18
IUPAC Name1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
SMILESCCCCC[C@H](c1c(F)cc(OC)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C17H26F2N2O.ClH/c1-3-4-5-6-16(21-9-7-20-8-10-21)17-14(18)11-13(22-2)12-15(17)19;/h11-12,16,20H,3-10H2,1-2H3;1H/t16-;/m1./s1
InChIKeyHUUBNCICHVLJMF-PKLMIRHRSA-N
XLogP3.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171167769
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hept-6-enyl]piperazine
CID 171173093
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine
CID 171178051
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308034
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride (CID 171173084) is 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride is CCCCC[C@H](c1c(F)cc(OC)cc1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride?
The InChIKey is HUUBNCICHVLJMF-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H26F2N2O.ClH/c1-3-4-5-6-16(21-9-7-20-8-10-21)17-14(18)11-13(22-2)12-15(17)19;/h11-12,16,20H,3-10H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride?
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride is sourced from PubChem (CID 171173084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).