1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone

C19H22FN3O2 — CID 122260312

IUPAC1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1cc(OC2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc(C)n1
InChIInChI=1S/C19H22FN3O2/c1-13-10-18(22-14(2)21-13)25-17-4-3-9-23(12-17)19(24)11-15-5-7-16(20)8-6-15/h5-8,10,17H,3-4,9,11-12H2,1-2H3
InChIKeyRBKKOIDMCWIEFS-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.85
Rot. Bonds4

About 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 122260312) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID122260312
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1cc(OC2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc(C)n1
InChIInChI=1S/C19H22FN3O2/c1-13-10-18(22-14(2)21-13)25-17-4-3-9-23(12-17)19(24)11-15-5-7-16(20)8-6-15/h5-8,10,17H,3-4,9,11-12H2,1-2H3
InChIKeyRBKKOIDMCWIEFS-UHFFFAOYSA-N
XLogP2.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 122260311
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121160857
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122260319
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
4-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260610
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
CID 122260439
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122260188
2-(4-chlorophenoxy)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260293
N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122260395

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 122260312) is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone is Cc1cc(OC2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc(C)n1.
What is the InChIKey of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is RBKKOIDMCWIEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-10-18(22-14(2)21-13)25-17-4-3-9-23(12-17)19(24)11-15-5-7-16(20)8-6-15/h5-8,10,17H,3-4,9,11-12H2,1-2H3.
What are the key properties of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 343.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 122260312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).