1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride

C17H28ClFN2 — CID 171169689

IUPAC1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
SMILESCCCC(C)[C@H](c1ccc(C)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C17H27FN2.ClH/c1-4-5-14(3)17(20-10-8-19-9-11-20)15-7-6-13(2)16(18)12-15;/h6-7,12,14,17,19H,4-5,8-11H2,1-3H3;1H/t14?,17-;/m1./s1
InChIKeyHIALERNJXBJVGL-JZABEEBUSA-N
MW314.88 g/mol
LogP3.94
Rot. Bonds5

About 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride

1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride (PubChem CID 171169689) has the molecular formula C17H28ClFN2 and a molecular weight of 314.88 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
PubChem CID171169689
Molecular FormulaC17H28ClFN2
Molecular Weight314.88 g/mol
Exact Mass314.19
IUPAC Name1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
SMILESCCCC(C)[C@H](c1ccc(C)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C17H27FN2.ClH/c1-4-5-14(3)17(20-10-8-19-9-11-20)15-7-6-13(2)16(18)12-15;/h6-7,12,14,17,19H,4-5,8-11H2,1-3H3;1H/t14?,17-;/m1./s1
InChIKeyHIALERNJXBJVGL-JZABEEBUSA-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 ≤ 500314.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171166423
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
CID 171169865
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine
CID 171171865
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-methylpentyl]piperazine
CID 171171984
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171162908
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171167614
1-[(1S)-1-(3-fluoro-4-methylphenyl)hexyl]piperazine
CID 171164247
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
CID 171170472
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304379

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride (CID 171169689) is 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride is CCCC(C)[C@H](c1ccc(C)c(F)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride?
The InChIKey is HIALERNJXBJVGL-JZABEEBUSA-N. The full InChI is InChI=1S/C17H27FN2.ClH/c1-4-5-14(3)17(20-10-8-19-9-11-20)15-7-6-13(2)16(18)12-15;/h6-7,12,14,17,19H,4-5,8-11H2,1-3H3;1H/t14?,17-;/m1./s1.
What are the key properties of 1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride?
1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride has a molecular weight of 314.88 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-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride is sourced from PubChem (CID 171169689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).