1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine

C16H24F2N2 — CID 171177597

IUPAC1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
SMILESCC(C)c1cccc([C@@H](CC(F)F)N2CCNCC2)c1
InChIInChI=1S/C16H24F2N2/c1-12(2)13-4-3-5-14(10-13)15(11-16(17)18)20-8-6-19-7-9-20/h3-5,10,12,15-16,19H,6-9,11H2,1-2H3/t15-/m1/s1
InChIKeyXHIOPGBJEYMZKH-OAHLLOKOSA-N
MW282.38 g/mol
LogP3.41
Rot. Bonds5

About 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine

1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine (PubChem CID 171177597) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
PubChem CID171177597
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
SMILESCC(C)c1cccc([C@@H](CC(F)F)N2CCNCC2)c1
InChIInChI=1S/C16H24F2N2/c1-12(2)13-4-3-5-14(10-13)15(11-16(17)18)20-8-6-19-7-9-20/h3-5,10,12,15-16,19H,6-9,11H2,1-2H3/t15-/m1/s1
InChIKeyXHIOPGBJEYMZKH-OAHLLOKOSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171182716
1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine
CID 171172679
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176427
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433
1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175584
1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171179209
1-[(1S)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171177599
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-[(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171291312
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine (CID 171177597) is 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine is CC(C)c1cccc([C@@H](CC(F)F)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine?
The InChIKey is XHIOPGBJEYMZKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-12(2)13-4-3-5-14(10-13)15(11-16(17)18)20-8-6-19-7-9-20/h3-5,10,12,15-16,19H,6-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine?
1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine has a molecular weight of 282.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine is sourced from PubChem (CID 171177597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).