2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone

C19H21FN2O2 — CID 71799566

IUPAC2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H21FN2O2/c1-14-3-2-4-18(21-14)24-17-9-11-22(12-10-17)19(23)13-15-5-7-16(20)8-6-15/h2-8,17H,9-13H2,1H3
InChIKeyGDAFHKXKKIKIMH-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone (PubChem CID 71799566) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
PubChem CID71799566
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H21FN2O2/c1-14-3-2-4-18(21-14)24-17-9-11-22(12-10-17)19(23)13-15-5-7-16(20)8-6-15/h2-8,17H,9-13H2,1H3
InChIKeyGDAFHKXKKIKIMH-UHFFFAOYSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone (CID 71799566) is 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone is Cc1cccc(OC2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The InChIKey is GDAFHKXKKIKIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-3-2-4-18(21-14)24-17-9-11-22(12-10-17)19(23)13-15-5-7-16(20)8-6-15/h2-8,17H,9-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71799566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).