1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride

C15H24Cl2F2N2 — CID 171309043

IUPAC1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1c(F)cccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22F2N2.2ClH/c1-2-3-7-14(19-10-8-18-9-11-19)15-12(16)5-4-6-13(15)17;;/h4-6,14,18H,2-3,7-11H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyJJIICHQWRDKVHW-UTLKBRERSA-N
MW341.27 g/mol
LogP3.94
Rot. Bonds5

About 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride

1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171309043) has the molecular formula C15H24Cl2F2N2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
PubChem CID171309043
Molecular FormulaC15H24Cl2F2N2
Molecular Weight341.27 g/mol
Exact Mass340.13
IUPAC Name1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1c(F)cccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22F2N2.2ClH/c1-2-3-7-14(19-10-8-18-9-11-19)15-12(16)5-4-6-13(15)17;;/h4-6,14,18H,2-3,7-11H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyJJIICHQWRDKVHW-UTLKBRERSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-bromo-6-fluorophenyl)hexyl]piperazine
CID 171163874
1-[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171309262
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
CID 171166670
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)pentyl]piperazine
CID 171166244
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307332
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
CID 171172183
2-fluoro-6-[(1R)-1-piperazin-1-ylpentyl]phenol
CID 171168188
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308034
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171181869
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride (CID 171309043) is 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1c(F)cccc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is JJIICHQWRDKVHW-UTLKBRERSA-N. The full InChI is InChI=1S/C15H22F2N2.2ClH/c1-2-3-7-14(19-10-8-18-9-11-19)15-12(16)5-4-6-13(15)17;;/h4-6,14,18H,2-3,7-11H2,1H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 341.27 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171309043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).