1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine

C16H24F2N2O — CID 171173037

IUPAC1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1c(F)ccc(OC)c1F)N1CCNCC1
InChIInChI=1S/C16H24F2N2O/c1-3-4-5-13(20-10-8-19-9-11-20)15-12(17)6-7-14(21-2)16(15)18/h6-7,13,19H,3-5,8-11H2,1-2H3/t13-/m1/s1
InChIKeyWJOGOPSZQOGIHZ-CYBMUJFWSA-N
MW298.38 g/mol
LogP3.11
Rot. Bonds6

About 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine

1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine (PubChem CID 171173037) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine
PubChem CID171173037
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1c(F)ccc(OC)c1F)N1CCNCC1
InChIInChI=1S/C16H24F2N2O/c1-3-4-5-13(20-10-8-19-9-11-20)15-12(17)6-7-14(21-2)16(15)18/h6-7,13,19H,3-5,8-11H2,1-2H3/t13-/m1/s1
InChIKeyWJOGOPSZQOGIHZ-CYBMUJFWSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
CID 171166670
1-[(1S)-1-(2,6-difluoro-3-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171167759
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)pentyl]piperazine
CID 171166244
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171163687
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309229
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
CID 171172183
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride
CID 171171970

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine (CID 171173037) is 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine is CCCC[C@H](c1c(F)ccc(OC)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine?
The InChIKey is WJOGOPSZQOGIHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-3-4-5-13(20-10-8-19-9-11-20)15-12(17)6-7-14(21-2)16(15)18/h6-7,13,19H,3-5,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine?
1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine has a molecular weight of 298.38 g/mol, XLogP of 3.11, 6 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-3-methoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 171173037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).