1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine

C15H18F6N2O — CID 171171172

IUPAC1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCOc1cc([C@@H](CC(F)(F)F)N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F6N2O/c1-24-12-7-10(6-11(8-12)15(19,20)21)13(9-14(16,17)18)23-4-2-22-3-5-23/h6-8,13,22H,2-5,9H2,1H3/t13-/m1/s1
InChIKeyXWQIWGKGMXXVJT-CYBMUJFWSA-N
MW356.31 g/mol
LogP3.61
Rot. Bonds4

About 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine

1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine (PubChem CID 171171172) has the molecular formula C15H18F6N2O and a molecular weight of 356.31 g/mol. Its IUPAC name is 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine
PubChem CID171171172
Molecular FormulaC15H18F6N2O
Molecular Weight356.31 g/mol
Exact Mass356.13
IUPAC Name1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCOc1cc([C@@H](CC(F)(F)F)N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F6N2O/c1-24-12-7-10(6-11(8-12)15(19,20)21)13(9-14(16,17)18)23-4-2-22-3-5-23/h6-8,13,22H,2-5,9H2,1H3/t13-/m1/s1
InChIKeyXWQIWGKGMXXVJT-CYBMUJFWSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[3-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171165775
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
(3R)-2,2-difluoro-3-[3-methoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171180237
1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
CID 171171154
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181646
1-[(1R)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 171172681
2,6-diiodo-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol
CID 171167840
1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171043
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171303090

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine?
The IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine (CID 171171172) is 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine?
The canonical SMILES for 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine is COc1cc([C@@H](CC(F)(F)F)N2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine?
The InChIKey is XWQIWGKGMXXVJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F6N2O/c1-24-12-7-10(6-11(8-12)15(19,20)21)13(9-14(16,17)18)23-4-2-22-3-5-23/h6-8,13,22H,2-5,9H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine?
1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine has a molecular weight of 356.31 g/mol, XLogP of 3.61, 4 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-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine is sourced from PubChem (CID 171171172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).