2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one

C16H23FN2O2 — CID 107686495

IUPAC2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCNCc1ccc(OC(C)C(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-12(16(20)19-8-4-3-5-9-19)21-15-7-6-13(11-18-2)10-14(15)17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3
InChIKeyVENTXTPMGZGMRS-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one

2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 107686495) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID107686495
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCNCc1ccc(OC(C)C(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-12(16(20)19-8-4-3-5-9-19)21-15-7-6-13(11-18-2)10-14(15)17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3
InChIKeyVENTXTPMGZGMRS-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one (CID 107686495) is 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one is CNCc1ccc(OC(C)C(=O)N2CCCCC2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is VENTXTPMGZGMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(16(20)19-8-4-3-5-9-19)21-15-7-6-13(11-18-2)10-14(15)17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 107686495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).