1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine

C15H17FN2O — CID 11507185

IUPAC1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine
SMILESCC1CNCCN1c1cc(F)cc(-c2ccoc2)c1
InChIInChI=1S/C15H17FN2O/c1-11-9-17-3-4-18(11)15-7-13(6-14(16)8-15)12-2-5-19-10-12/h2,5-8,10-11,17H,3-4,9H2,1H3
InChIKeyJVUWWLVBYPTVQT-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.88
Rot. Bonds2

About 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine

1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine (PubChem CID 11507185) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine
PubChem CID11507185
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine
SMILESCC1CNCCN1c1cc(F)cc(-c2ccoc2)c1
InChIInChI=1S/C15H17FN2O/c1-11-9-17-3-4-18(11)15-7-13(6-14(16)8-15)12-2-5-19-10-12/h2,5-8,10-11,17H,3-4,9H2,1H3
InChIKeyJVUWWLVBYPTVQT-UHFFFAOYSA-N
XLogP2.88
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine?
The IUPAC name of 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine (CID 11507185) is 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine.
What is the SMILES notation for 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine?
The canonical SMILES for 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine is CC1CNCCN1c1cc(F)cc(-c2ccoc2)c1.
What is the InChIKey of 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine?
The InChIKey is JVUWWLVBYPTVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-9-17-3-4-18(11)15-7-13(6-14(16)8-15)12-2-5-19-10-12/h2,5-8,10-11,17H,3-4,9H2,1H3.
What are the key properties of 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine?
1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine has a molecular weight of 260.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(furan-3-yl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 11507185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).