1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride

C17H29Cl2FN2 — CID 171307745

IUPAC1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cc(C)ccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27FN2.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-13-14(2)7-8-16(15)18;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1
InChIKeyWMGASMGOVKRZCW-ZEECNFPPSA-N
MW351.34 g/mol
LogP4.50
Rot. Bonds6

About 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171307745) has the molecular formula C17H29Cl2FN2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
PubChem CID171307745
Molecular FormulaC17H29Cl2FN2
Molecular Weight351.34 g/mol
Exact Mass350.17
IUPAC Name1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cc(C)ccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27FN2.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-13-14(2)7-8-16(15)18;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1
InChIKeyWMGASMGOVKRZCW-ZEECNFPPSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol
CID 171308211
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171163026
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308638
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171166542

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride (CID 171307745) is 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1cc(C)ccc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is WMGASMGOVKRZCW-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H27FN2.2ClH/c1-3-4-5-6-17(20-11-9-19-10-12-20)15-13-14(2)7-8-16(15)18;;/h7-8,13,17,19H,3-6,9-12H2,1-2H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 351.34 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171307745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).