1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine

C17H25F3N2O — CID 171167509

IUPAC1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
SMILESCC(C)(C)Oc1ccc([C@H](CC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C17H25F3N2O/c1-16(2,3)23-14-6-4-13(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-/m0/s1
InChIKeyCXFYYFUJOHPPBF-HNNXBMFYSA-N
MW330.39 g/mol
LogP3.76
Rot. Bonds4

About 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine

1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine (PubChem CID 171167509) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
PubChem CID171167509
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
SMILESCC(C)(C)Oc1ccc([C@H](CC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C17H25F3N2O/c1-16(2,3)23-14-6-4-13(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-/m0/s1
InChIKeyCXFYYFUJOHPPBF-HNNXBMFYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171283231
1-[(1S)-3,3,3-trifluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165894
1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 171172767
1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 95480577
1-[(1R)-3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine;hydrochloride
CID 171172768
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1S)-2,2,2-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171295848
4-[(2-methylpropan-2-yl)oxy]-2-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol
CID 171167421
1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
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)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine?
The IUPAC name of 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine (CID 171167509) is 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine.
What is the SMILES notation for 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine?
The canonical SMILES for 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine is CC(C)(C)Oc1ccc([C@H](CC(F)(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine?
The InChIKey is CXFYYFUJOHPPBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-16(2,3)23-14-6-4-13(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-/m0/s1.
What are the key properties of 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine?
1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine has a molecular weight of 330.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine is sourced from PubChem (CID 171167509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).