[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone

C25H25FN2O2 — CID 25127169

IUPAC[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone
SMILESCC1CCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H25FN2O2/c1-18-11-12-19(17-30-24-14-13-21(26)15-27-24)16-28(18)25(29)23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-10,13-15,18-19H,11-12,16-17H2,1H3
InChIKeyOEJUMLBCJYKCGZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.21
Rot. Bonds5

About [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone

[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 25127169) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID25127169
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone
SMILESCC1CCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H25FN2O2/c1-18-11-12-19(17-30-24-14-13-21(26)15-27-24)16-28(18)25(29)23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-10,13-15,18-19H,11-12,16-17H2,1H3
InChIKeyOEJUMLBCJYKCGZ-UHFFFAOYSA-N
XLogP5.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone (CID 25127169) is [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone is CC1CCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is OEJUMLBCJYKCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-18-11-12-19(17-30-24-14-13-21(26)15-27-24)16-28(18)25(29)23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-10,13-15,18-19H,11-12,16-17H2,1H3.
What are the key properties of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone?
[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 404.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 25127169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).