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

C16H19FN2O2 — CID 171176498

IUPAC1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
SMILESCOc1cccc([C@@H](c2ccco2)N2CCNCC2)c1F
InChIInChI=1S/C16H19FN2O2/c1-20-13-5-2-4-12(15(13)17)16(14-6-3-11-21-14)19-9-7-18-8-10-19/h2-6,11,16,18H,7-10H2,1H3/t16-/m0/s1
InChIKeyYZORYXUBODODQH-INIZCTEOSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds4

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

1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine (PubChem CID 171176498) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
PubChem CID171176498
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
SMILESCOc1cccc([C@@H](c2ccco2)N2CCNCC2)c1F
InChIInChI=1S/C16H19FN2O2/c1-20-13-5-2-4-12(15(13)17)16(14-6-3-11-21-14)19-9-7-18-8-10-19/h2-6,11,16,18H,7-10H2,1H3/t16-/m0/s1
InChIKeyYZORYXUBODODQH-INIZCTEOSA-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-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178044
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697
1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180282
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171179727
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]piperazine
CID 171179683
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine (CID 171176498) is 1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine is COc1cccc([C@@H](c2ccco2)N2CCNCC2)c1F.
What is the InChIKey of 1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The InChIKey is YZORYXUBODODQH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-20-13-5-2-4-12(15(13)17)16(14-6-3-11-21-14)19-9-7-18-8-10-19/h2-6,11,16,18H,7-10H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
1-[(S)-(2-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-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine is sourced from PubChem (CID 171176498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).