1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride

C16H27Cl2FN2 — CID 171308642

IUPAC1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@@H](c1ccccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H25FN2.2ClH/c1-2-3-4-9-16(19-12-10-18-11-13-19)14-7-5-6-8-15(14)17;;/h5-8,16,18H,2-4,9-13H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyRIOASSDRRWSMGH-SQKCAUCHSA-N
MW337.31 g/mol
LogP4.20
Rot. Bonds6

About 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride

1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308642) has the molecular formula C16H27Cl2FN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
PubChem CID171308642
Molecular FormulaC16H27Cl2FN2
Molecular Weight337.31 g/mol
Exact Mass336.15
IUPAC Name1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@@H](c1ccccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H25FN2.2ClH/c1-2-3-4-9-16(19-12-10-18-11-13-19)14-7-5-6-8-15(14)17;;/h5-8,16,18H,2-4,9-13H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyRIOASSDRRWSMGH-SQKCAUCHSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.20
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-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
2-fluoro-6-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307333
(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174171
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171163026
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308638
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307332
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334
1-[(1S)-1-(3-bromo-2-fluorophenyl)hexyl]piperazine;hydrochloride
CID 171163924
1-[(1S)-1-(3-chloro-2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171309330

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride (CID 171308642) is 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@@H](c1ccccc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is RIOASSDRRWSMGH-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H25FN2.2ClH/c1-2-3-4-9-16(19-12-10-18-11-13-19)14-7-5-6-8-15(14)17;;/h5-8,16,18H,2-4,9-13H2,1H3;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride?
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 337.31 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).