[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C19H21FN2O2 — CID 58210759

IUPAC[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(F)c1-c1cccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C19H21FN2O2/c1-13-9-11-22(12-10-13)19(23)16-7-4-6-15(21-16)18-14(20)5-3-8-17(18)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyICUAMQVCFUNAQJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.77
Rot. Bonds3

About [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 58210759) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID58210759
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(F)c1-c1cccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C19H21FN2O2/c1-13-9-11-22(12-10-13)19(23)16-7-4-6-15(21-16)18-14(20)5-3-8-17(18)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyICUAMQVCFUNAQJ-UHFFFAOYSA-N
XLogP3.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 58210759) is [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is COc1cccc(F)c1-c1cccc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ICUAMQVCFUNAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-9-11-22(12-10-13)19(23)16-7-4-6-15(21-16)18-14(20)5-3-8-17(18)24-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 328.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58210759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).