4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one

C15H20F3N3O2 — CID 134160584

IUPAC4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one
SMILESCc1cc(OCC2CCN(C(=O)CCC(F)(F)F)CC2)ncn1
InChIInChI=1S/C15H20F3N3O2/c1-11-8-13(20-10-19-11)23-9-12-3-6-21(7-4-12)14(22)2-5-15(16,17)18/h8,10,12H,2-7,9H2,1H3
InChIKeyOCZGBBALVWQKRF-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.74
Rot. Bonds5

About 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one (PubChem CID 134160584) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one
PubChem CID134160584
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one
SMILESCc1cc(OCC2CCN(C(=O)CCC(F)(F)F)CC2)ncn1
InChIInChI=1S/C15H20F3N3O2/c1-11-8-13(20-10-19-11)23-9-12-3-6-21(7-4-12)14(22)2-5-15(16,17)18/h8,10,12H,2-7,9H2,1H3
InChIKeyOCZGBBALVWQKRF-UHFFFAOYSA-N
XLogP2.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid amide
CID 649678
1-(4-Ethoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 42628171
1-[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 53609919
[(1S)-cyclohex-3-en-1-yl]-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 129355402
1-[2-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)ethyl]pyrrolidin-2-one
CID 134160466
1-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)-4,4,4-trifluorobutan-1-one
CID 134160583
1-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)-2-methoxyethan-1-one
CID 134160668
4-[[6-(Trifluoromethyl)pyrimidine-4-yl]oxy]piperidine-1-carboxylic acid tert-butyl ester
CID 21906053
Tert-butyl 4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67954394
4-[6-[(Dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 67955028
2-Methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
CID 69147969
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 69378620

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one (CID 134160584) is 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one is Cc1cc(OCC2CCN(C(=O)CCC(F)(F)F)CC2)ncn1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one?
The InChIKey is OCZGBBALVWQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-11-8-13(20-10-19-11)23-9-12-3-6-21(7-4-12)14(22)2-5-15(16,17)18/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one has a molecular weight of 331.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-[(6-methylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 134160584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).