1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine

C18H21F3N2O2 — CID 171295142

IUPAC1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCCc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)o1
InChIInChI=1S/C18H21F3N2O2/c1-2-14-7-8-16(24-14)17(23-11-9-22-10-12-23)13-3-5-15(6-4-13)25-18(19,20)21/h3-8,17,22H,2,9-12H2,1H3/t17-/m1/s1
InChIKeyVLVRMOHJKLBHHG-QGZVFWFLSA-N
MW354.37 g/mol
LogP3.74
Rot. Bonds5

About 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171295142) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171295142
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCCc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)o1
InChIInChI=1S/C18H21F3N2O2/c1-2-14-7-8-16(24-14)17(23-11-9-22-10-12-23)13-3-5-15(6-4-13)25-18(19,20)21/h3-8,17,22H,2,9-12H2,1H3/t17-/m1/s1
InChIKeyVLVRMOHJKLBHHG-QGZVFWFLSA-N
XLogP3.74
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(S)-(5-ethylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171281362
1-[(S)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287926
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275299
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272564
1-[(S)-(4-methylsulfanylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171281961
1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280875
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279194
1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171296726

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171295142) is 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine is CCc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)o1.
What is the InChIKey of 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is VLVRMOHJKLBHHG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-2-14-7-8-16(24-14)17(23-11-9-22-10-12-23)13-3-5-15(6-4-13)25-18(19,20)21/h3-8,17,22H,2,9-12H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 354.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171295142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).