1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine

C16H18F2N2O2 — CID 171181410

IUPAC1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
SMILESCOc1cc(F)c([C@H](c2ccco2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H18F2N2O2/c1-21-11-9-12(17)15(13(18)10-11)16(14-3-2-8-22-14)20-6-4-19-5-7-20/h2-3,8-10,16,19H,4-7H2,1H3/t16-/m0/s1
InChIKeyWEFBDVQMXFAMLT-INIZCTEOSA-N
MW308.33 g/mol
LogP2.56
Rot. Bonds4

About 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine

1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine (PubChem CID 171181410) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
PubChem CID171181410
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
SMILESCOc1cc(F)c([C@H](c2ccco2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H18F2N2O2/c1-21-11-9-12(17)15(13(18)10-11)16(14-3-2-8-22-14)20-6-4-19-5-7-20/h2-3,8-10,16,19H,4-7H2,1H3/t16-/m0/s1
InChIKeyWEFBDVQMXFAMLT-INIZCTEOSA-N
XLogP2.56
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178044
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171179727
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(S)-furan-2-yl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176785
1-[(R)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine
CID 171181512
1-[(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine
CID 171178115
1-[furan-2-yl-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 4669112
1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171179162
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 171181424
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine (CID 171181410) is 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine is COc1cc(F)c([C@H](c2ccco2)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The InChIKey is WEFBDVQMXFAMLT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-21-11-9-12(17)15(13(18)10-11)16(14-3-2-8-22-14)20-6-4-19-5-7-20/h2-3,8-10,16,19H,4-7H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine has a molecular weight of 308.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine is sourced from PubChem (CID 171181410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).