1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride

C16H25ClF2N2 — CID 171166670

IUPAC1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1c(F)ccc(C)c1F)N1CCNCC1.Cl
InChIInChI=1S/C16H24F2N2.ClH/c1-3-4-5-14(20-10-8-19-9-11-20)15-13(17)7-6-12(2)16(15)18;/h6-7,14,19H,3-5,8-11H2,1-2H3;1H/t14-;/m0./s1
InChIKeyWHRVDGNTFXCQOZ-UQKRIMTDSA-N
MW318.84 g/mol
LogP3.83
Rot. Bonds5

About 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride

1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride (PubChem CID 171166670) has the molecular formula C16H25ClF2N2 and a molecular weight of 318.84 g/mol. Its IUPAC name is 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
PubChem CID171166670
Molecular FormulaC16H25ClF2N2
Molecular Weight318.84 g/mol
Exact Mass318.17
IUPAC Name1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1c(F)ccc(C)c1F)N1CCNCC1.Cl
InChIInChI=1S/C16H24F2N2.ClH/c1-3-4-5-14(20-10-8-19-9-11-20)15-13(17)7-6-12(2)16(15)18;/h6-7,14,19H,3-5,8-11H2,1-2H3;1H/t14-;/m0./s1
InChIKeyWHRVDGNTFXCQOZ-UQKRIMTDSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride
CID 171171970
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166538
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine
CID 171173037
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)pentyl]piperazine
CID 171166244
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
CID 171172183
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180623
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
CID 171293030
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308034
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171293015

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride (CID 171166670) is 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride is CCCC[C@@H](c1c(F)ccc(C)c1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride?
The InChIKey is WHRVDGNTFXCQOZ-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H24F2N2.ClH/c1-3-4-5-14(20-10-8-19-9-11-20)15-13(17)7-6-12(2)16(15)18;/h6-7,14,19H,3-5,8-11H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride?
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride has a molecular weight of 318.84 g/mol, XLogP of 3.83, 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-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171166670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).