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

C16H27Cl2FN2 — CID 171307766

IUPAC1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cc(F)ccc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H25FN2.2ClH/c1-3-4-5-16(19-10-8-18-9-11-19)15-12-14(17)7-6-13(15)2;;/h6-7,12,16,18H,3-5,8-11H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyIWDLPDVCHYXFSV-GGMCWBHBSA-N
MW337.31 g/mol
LogP4.11
Rot. Bonds5

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

1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171307766) has the molecular formula C16H27Cl2FN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171307766
Molecular FormulaC16H27Cl2FN2
Molecular Weight337.31 g/mol
Exact Mass336.15
IUPAC Name1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cc(F)ccc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H25FN2.2ClH/c1-3-4-5-16(19-10-8-18-9-11-19)15-12-14(17)7-6-13(15)2;;/h6-7,12,16,18H,3-5,8-11H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyIWDLPDVCHYXFSV-GGMCWBHBSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171302665
(3S)-3-(5-fluoro-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174303
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
CID 171163752
1-[(1R)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine
CID 171169673
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine
CID 171164341
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171166176
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(1R)-1-(2-bromo-5-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307633
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-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride (CID 171307766) is 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride is CCCC[C@H](c1cc(F)ccc1C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is IWDLPDVCHYXFSV-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H25FN2.2ClH/c1-3-4-5-16(19-10-8-18-9-11-19)15-12-14(17)7-6-13(15)2;;/h6-7,12,16,18H,3-5,8-11H2,1-2H3;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 337.31 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171307766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).