1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine

C17H25F3N2 — CID 171172679

IUPAC1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine
SMILESCC(C)c1cccc([C@@H](CCC(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C17H25F3N2/c1-13(2)14-4-3-5-15(12-14)16(6-7-17(18,19)20)22-10-8-21-9-11-22/h3-5,12-13,16,21H,6-11H2,1-2H3/t16-/m1/s1
InChIKeyHUOKXPIEFZOETB-MRXNPFEDSA-N
MW314.40 g/mol
LogP4.10
Rot. Bonds5

About 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine

1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine (PubChem CID 171172679) has the molecular formula C17H25F3N2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine
PubChem CID171172679
Molecular FormulaC17H25F3N2
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC Name1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine
SMILESCC(C)c1cccc([C@@H](CCC(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C17H25F3N2/c1-13(2)14-4-3-5-15(12-14)16(6-7-17(18,19)20)22-10-8-21-9-11-22/h3-5,12-13,16,21H,6-11H2,1-2H3/t16-/m1/s1
InChIKeyHUOKXPIEFZOETB-MRXNPFEDSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.10
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-[(1S)-4,4,4-trifluoro-1-(3-iodophenyl)butyl]piperazine
CID 171166769
1-[(1R)-4,4,4-trifluoro-1-(3-iodophenyl)butyl]piperazine;dihydrochloride
CID 171303909
1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
CID 171177597
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
CID 171168796
1-[(1S)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171177599
1-[(1R)-1-(3,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171169052
1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
CID 171166539
1-[(1S)-1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171164324
2-methyl-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171167189
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine (CID 171172679) is 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine is CC(C)c1cccc([C@@H](CCC(F)(F)F)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine?
The InChIKey is HUOKXPIEFZOETB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25F3N2/c1-13(2)14-4-3-5-15(12-14)16(6-7-17(18,19)20)22-10-8-21-9-11-22/h3-5,12-13,16,21H,6-11H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine?
1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine has a molecular weight of 314.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine is sourced from PubChem (CID 171172679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).