2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine

C13H19FN2 — CID 115059371

IUPAC2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine
SMILESNCCC1(c2cccc(F)c2)CCCCN1
InChIInChI=1S/C13H19FN2/c14-12-5-3-4-11(10-12)13(7-8-15)6-1-2-9-16-13/h3-5,10,16H,1-2,6-9,15H2
InChIKeyYLFBMLSVWFRAFH-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.14
Rot. Bonds3

About 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine

2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine (PubChem CID 115059371) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine
PubChem CID115059371
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine
SMILESNCCC1(c2cccc(F)c2)CCCCN1
InChIInChI=1S/C13H19FN2/c14-12-5-3-4-11(10-12)13(7-8-15)6-1-2-9-16-13/h3-5,10,16H,1-2,6-9,15H2
InChIKeyYLFBMLSVWFRAFH-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine (CID 115059371) is 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine is NCCC1(c2cccc(F)c2)CCCCN1.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine?
The InChIKey is YLFBMLSVWFRAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-12-5-3-4-11(10-12)13(7-8-15)6-1-2-9-16-13/h3-5,10,16H,1-2,6-9,15H2.
What are the key properties of 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine?
2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 115059371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).