1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride

C16H24ClF3N2 — CID 171169865

IUPAC1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
SMILESCCCC(C)[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C16H23F3N2.ClH/c1-3-4-11(2)16(21-7-5-20-6-8-21)15-13(18)9-12(17)10-14(15)19;/h9-11,16,20H,3-8H2,1-2H3;1H/t11?,16-;/m1./s1
InChIKeyAESKPNGFKMJIQY-XZQUYJRXSA-N
MW336.83 g/mol
LogP3.91
Rot. Bonds5

About 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride

1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride (PubChem CID 171169865) has the molecular formula C16H24ClF3N2 and a molecular weight of 336.83 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
PubChem CID171169865
Molecular FormulaC16H24ClF3N2
Molecular Weight336.83 g/mol
Exact Mass336.16
IUPAC Name1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
SMILESCCCC(C)[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C16H23F3N2.ClH/c1-3-4-11(2)16(21-7-5-20-6-8-21)15-13(18)9-12(17)10-14(15)19;/h9-11,16,20H,3-8H2,1-2H3;1H/t11?,16-;/m1./s1
InChIKeyAESKPNGFKMJIQY-XZQUYJRXSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171305299
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
CID 171170472
1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171169689
1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171171899
3,5-difluoro-2-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300143
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171166423
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine
CID 171173226
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine
CID 171171865
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171169950
1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168949
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171163196

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride (CID 171169865) is 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride is CCCC(C)[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride?
The InChIKey is AESKPNGFKMJIQY-XZQUYJRXSA-N. The full InChI is InChI=1S/C16H23F3N2.ClH/c1-3-4-11(2)16(21-7-5-20-6-8-21)15-13(18)9-12(17)10-14(15)19;/h9-11,16,20H,3-8H2,1-2H3;1H/t11?,16-;/m1./s1.
What are the key properties of 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride?
1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171169865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).