1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine

C20H23F3N2O — CID 171172743

IUPAC1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine
SMILESFC(F)(F)C[C@H](c1ccccc1OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)14-18(25-12-10-24-11-13-25)17-8-4-5-9-19(17)26-15-16-6-2-1-3-7-16/h1-9,18,24H,10-15H2/t18-/m1/s1
InChIKeyVOCRHOCLHIYDAL-GOSISDBHSA-N
MW364.41 g/mol
LogP4.16
Rot. Bonds6

About 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine

1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine (PubChem CID 171172743) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine
PubChem CID171172743
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine
SMILESFC(F)(F)C[C@H](c1ccccc1OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)14-18(25-12-10-24-11-13-25)17-8-4-5-9-19(17)26-15-16-6-2-1-3-7-16/h1-9,18,24H,10-15H2/t18-/m1/s1
InChIKeyVOCRHOCLHIYDAL-GOSISDBHSA-N
XLogP4.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172317
1-[(1R)-3,3,3-trifluoro-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171303826
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(2-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3736042
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172753
1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine
CID 171295550
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169153
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172152
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1S)-3,3,3-trifluoro-1-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 171167067

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine (CID 171172743) is 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine is FC(F)(F)C[C@H](c1ccccc1OCc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine?
The InChIKey is VOCRHOCLHIYDAL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)14-18(25-12-10-24-11-13-25)17-8-4-5-9-19(17)26-15-16-6-2-1-3-7-16/h1-9,18,24H,10-15H2/t18-/m1/s1.
What are the key properties of 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine?
1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine has a molecular weight of 364.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine is sourced from PubChem (CID 171172743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).