1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride

C15H23ClF2N2 — CID 171171970

IUPAC1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride
SMILESCCC[C@H](c1c(F)ccc(C)c1F)N1CCNCC1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-3-4-13(19-9-7-18-8-10-19)14-12(16)6-5-11(2)15(14)17;/h5-6,13,18H,3-4,7-10H2,1-2H3;1H/t13-;/m1./s1
InChIKeyGPUFVHHPAZQFBM-BTQNPOSSSA-N
MW304.81 g/mol
LogP3.44
Rot. Bonds4

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

1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride (PubChem CID 171171970) has the molecular formula C15H23ClF2N2 and a molecular weight of 304.81 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride
PubChem CID171171970
Molecular FormulaC15H23ClF2N2
Molecular Weight304.81 g/mol
Exact Mass304.15
IUPAC Name1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride
SMILESCCC[C@H](c1c(F)ccc(C)c1F)N1CCNCC1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-3-4-13(19-9-7-18-8-10-19)14-12(16)6-5-11(2)15(14)17;/h5-6,13,18H,3-4,7-10H2,1-2H3;1H/t13-;/m1./s1
InChIKeyGPUFVHHPAZQFBM-BTQNPOSSSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166538
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-[(1R)-1-(2,6-difluoro-3-methylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171293015
1-[(1S)-1-(2,3-dichloro-6-fluorophenyl)butyl]piperazine;hydrochloride
CID 171167598
1-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171166800
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171172161
1-[(1S)-1-(2,3,5,6-tetrafluorophenyl)butyl]piperazine
CID 171167033
1-[(1R)-1-(2,3,6-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290288
6-bromo-3-fluoro-2-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300463
2-fluoro-3-methyl-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300383

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride (CID 171171970) is 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride is CCC[C@H](c1c(F)ccc(C)c1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride?
The InChIKey is GPUFVHHPAZQFBM-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H22F2N2.ClH/c1-3-4-13(19-9-7-18-8-10-19)14-12(16)6-5-11(2)15(14)17;/h5-6,13,18H,3-4,7-10H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride?
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride has a molecular weight of 304.81 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride is sourced from PubChem (CID 171171970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).