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

C16H19FN2O2 — CID 171176218

IUPAC1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
SMILESCOc1cc(F)ccc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C16H19FN2O2/c1-20-15-11-12(17)4-5-13(15)16(14-3-2-10-21-14)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m0/s1
InChIKeyKIKOEFGBWUWQMO-INIZCTEOSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds4

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

1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine (PubChem CID 171176218) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
PubChem CID171176218
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
SMILESCOc1cc(F)ccc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C16H19FN2O2/c1-20-15-11-12(17)4-5-13(15)16(14-3-2-10-21-14)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m0/s1
InChIKeyKIKOEFGBWUWQMO-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)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171179727
4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
CID 171175035
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505
1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180282
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(S)-furan-2-yl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176785
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410
1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178044
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine (CID 171176218) is 1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine is COc1cc(F)ccc1[C@@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
The InChIKey is KIKOEFGBWUWQMO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-20-15-11-12(17)4-5-13(15)16(14-3-2-10-21-14)19-8-6-18-7-9-19/h2-5,10-11,16,18H,6-9H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine?
1-[(S)-(4-fluoro-2-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)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine is sourced from PubChem (CID 171176218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).