4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one

C15H19F3N2O2 — CID 84600424

IUPAC4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
SMILESCc1ccc(OC2CCN(C(=O)CCC(F)(F)F)CC2)nc1
InChIInChI=1S/C15H19F3N2O2/c1-11-2-3-13(19-10-11)22-12-5-8-20(9-6-12)14(21)4-7-15(16,17)18/h2-3,10,12H,4-9H2,1H3
InChIKeyOUYGZZYZBNFHSI-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.10
Rot. Bonds4

About 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one (PubChem CID 84600424) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
PubChem CID84600424
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
SMILESCc1ccc(OC2CCN(C(=O)CCC(F)(F)F)CC2)nc1
InChIInChI=1S/C15H19F3N2O2/c1-11-2-3-13(19-10-11)22-12-5-8-20(9-6-12)14(21)4-7-15(16,17)18/h2-3,10,12H,4-9H2,1H3
InChIKeyOUYGZZYZBNFHSI-UHFFFAOYSA-N
XLogP3.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 75484484
1-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 139022949
1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione
CID 129418342
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498
1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 119043339
[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417270
(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 138020495
N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
CID 167537230
N,N-dimethyl-2-[4-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]triazol-1-yl]acetamide
CID 75447448

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one (CID 84600424) is 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one is Cc1ccc(OC2CCN(C(=O)CCC(F)(F)F)CC2)nc1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one?
The InChIKey is OUYGZZYZBNFHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-11-2-3-13(19-10-11)22-12-5-8-20(9-6-12)14(21)4-7-15(16,17)18/h2-3,10,12H,4-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one has a molecular weight of 316.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 84600424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).