(2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone

C19H21FN2O2 — CID 100680430

IUPAC(2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(Oc3ccncc3C)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-13-3-4-17(20)16(11-13)19(23)22-9-6-15(7-10-22)24-18-5-8-21-12-14(18)2/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3
InChIKeyAUUYIHMWTVTASV-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.52
Rot. Bonds3

About (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone

(2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 100680430) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID100680430
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCC(Oc3ccncc3C)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-13-3-4-17(20)16(11-13)19(23)22-9-6-15(7-10-22)24-18-5-8-21-12-14(18)2/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3
InChIKeyAUUYIHMWTVTASV-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone (CID 100680430) is (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone is Cc1ccc(F)c(C(=O)N2CCC(Oc3ccncc3C)CC2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is AUUYIHMWTVTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-3-4-17(20)16(11-13)19(23)22-9-6-15(7-10-22)24-18-5-8-21-12-14(18)2/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone?
(2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 100680430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).