1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine

C16H19FN2O2 — CID 171179727

IUPAC1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
SMILESCOc1cc([C@H](c2ccco2)N2CCNCC2)ccc1F
InChIInChI=1S/C16H19FN2O2/c1-20-15-11-12(4-5-13(15)17)16(14-3-2-10-21-14)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m1/s1
InChIKeyXVROPLLKUQTBQV-MRXNPFEDSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds4

About 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine

1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine (PubChem CID 171179727) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
PubChem CID171179727
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
SMILESCOc1cc([C@H](c2ccco2)N2CCNCC2)ccc1F
InChIInChI=1S/C16H19FN2O2/c1-20-15-11-12(4-5-13(15)17)16(14-3-2-10-21-14)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m1/s1
InChIKeyXVROPLLKUQTBQV-MRXNPFEDSA-N
XLogP2.42
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171178743
1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175353
1-[furan-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4594908
1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178044
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3443710
1-[furan-2-yl-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 4669112
1-[(1S)-2,2-difluoro-1-(4-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 171290660
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(1S)-1-(4-fluoro-3-methoxyphenyl)-2,2-dimethylpropyl]piperazine
CID 171164988

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine (CID 171179727) is 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine is COc1cc([C@H](c2ccco2)N2CCNCC2)ccc1F.
What is the InChIKey of 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The InChIKey is XVROPLLKUQTBQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-20-15-11-12(4-5-13(15)17)16(14-3-2-10-21-14)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine has a molecular weight of 290.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine is sourced from PubChem (CID 171179727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).