1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine

C17H19F3N2O3 — CID 171180282

IUPAC1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCOc1ccc(OC(F)(F)F)cc1[C@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C17H19F3N2O3/c1-23-14-5-4-12(25-17(18,19)20)11-13(14)16(15-3-2-10-24-15)22-8-6-21-7-9-22/h2-5,10-11,16,21H,6-9H2,1H3/t16-/m1/s1
InChIKeyNVQHIOXDGISCPT-MRXNPFEDSA-N
MW356.34 g/mol
LogP3.18
Rot. Bonds5

About 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171180282) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171180282
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCOc1ccc(OC(F)(F)F)cc1[C@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C17H19F3N2O3/c1-23-14-5-4-12(25-17(18,19)20)11-13(14)16(15-3-2-10-24-15)22-8-6-21-7-9-22/h2-5,10-11,16,21H,6-9H2,1H3/t16-/m1/s1
InChIKeyNVQHIOXDGISCPT-MRXNPFEDSA-N
XLogP3.18
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171176743
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279670
1-[(S)-furan-2-yl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176785
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171225
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 3699847
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171327
1-[(1R)-3-fluoro-1-[2-methoxy-5-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171171231
1-[(R)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171286916
(3S)-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174639

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171180282) is 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine is COc1ccc(OC(F)(F)F)cc1[C@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is NVQHIOXDGISCPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-23-14-5-4-12(25-17(18,19)20)11-13(14)16(15-3-2-10-24-15)22-8-6-21-7-9-22/h2-5,10-11,16,21H,6-9H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 356.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171180282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).