1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine

C17H25F3N2 — CID 171169001

IUPAC1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
SMILESCC(C)(C)c1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C17H25F3N2/c1-16(2,3)14-6-4-13(5-7-14)15(12-17(18,19)20)22-10-8-21-9-11-22/h4-7,15,21H,8-12H2,1-3H3/t15-/m1/s1
InChIKeyDPGWTQKWXJZDBF-OAHLLOKOSA-N
MW314.40 g/mol
LogP3.88
Rot. Bonds3

About 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine

1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine (PubChem CID 171169001) has the molecular formula C17H25F3N2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
PubChem CID171169001
Molecular FormulaC17H25F3N2
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC Name1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
SMILESCC(C)(C)c1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C17H25F3N2/c1-16(2,3)14-6-4-13(5-7-14)15(12-17(18,19)20)22-10-8-21-9-11-22/h4-7,15,21H,8-12H2,1-3H3/t15-/m1/s1
InChIKeyDPGWTQKWXJZDBF-OAHLLOKOSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171167509
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
N,N-diethyl-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline
CID 171302840
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 171170586
1-[(1S)-3,3,3-trifluoro-1-pyridin-4-ylpropyl]piperazine;dihydrochloride
CID 171302429
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine (CID 171169001) is 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine is CC(C)(C)c1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine?
The InChIKey is DPGWTQKWXJZDBF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25F3N2/c1-16(2,3)14-6-4-13(5-7-14)15(12-17(18,19)20)22-10-8-21-9-11-22/h4-7,15,21H,8-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine?
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine has a molecular weight of 314.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine is sourced from PubChem (CID 171169001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).