2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone

C11H12F3N3O2 — CID 90558807

IUPAC2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(N1CCC(Oc2ncccn2)CC1)C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)9(18)17-6-2-8(3-7-17)19-10-15-4-1-5-16-10/h1,4-5,8H,2-3,6-7H2
InChIKeyBMNSMYPFEKHIMO-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.41
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 90558807) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
PubChem CID90558807
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(N1CCC(Oc2ncccn2)CC1)C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)9(18)17-6-2-8(3-7-17)19-10-15-4-1-5-16-10/h1,4-5,8H,2-3,6-7H2
InChIKeyBMNSMYPFEKHIMO-UHFFFAOYSA-N
XLogP1.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122243290
2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide
CID 175996534
oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 74238548
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558579
(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 71799141
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone (CID 90558807) is 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone is O=C(N1CCC(Oc2ncccn2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is BMNSMYPFEKHIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)9(18)17-6-2-8(3-7-17)19-10-15-4-1-5-16-10/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 275.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 90558807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).