2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one

C15H20FNO2 — CID 107661969

IUPAC2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(OC(C)C(=O)N2CCCCC2)c1F
InChIInChI=1S/C15H20FNO2/c1-11-7-6-8-13(14(11)16)19-12(2)15(18)17-9-4-3-5-10-17/h6-8,12H,3-5,9-10H2,1-2H3
InChIKeyDUIDRHWFXYKAKR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.91
Rot. Bonds3

About 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one

2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 107661969) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID107661969
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(OC(C)C(=O)N2CCCCC2)c1F
InChIInChI=1S/C15H20FNO2/c1-11-7-6-8-13(14(11)16)19-12(2)15(18)17-9-4-3-5-10-17/h6-8,12H,3-5,9-10H2,1-2H3
InChIKeyDUIDRHWFXYKAKR-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one (CID 107661969) is 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one is Cc1cccc(OC(C)C(=O)N2CCCCC2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is DUIDRHWFXYKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-7-6-8-13(14(11)16)19-12(2)15(18)17-9-4-3-5-10-17/h6-8,12H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one?
2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 107661969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).