oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C18H23F3N2O3 — CID 126874696

IUPACoxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)15-2-1-3-16(22-15)26-12-13-4-8-23(9-5-13)17(24)14-6-10-25-11-7-14/h1-3,13-14H,4-12H2
InChIKeyDLFWOECWMRFLRH-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.14
Rot. Bonds4

About oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone

oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 126874696) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID126874696
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Nameoxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)15-2-1-3-16(22-15)26-12-13-4-8-23(9-5-13)17(24)14-6-10-25-11-7-14/h1-3,13-14H,4-12H2
InChIKeyDLFWOECWMRFLRH-UHFFFAOYSA-N
XLogP3.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone 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

2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
CID 126874767
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392
[3-(dimethylamino)phenyl]-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 146078748
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769
[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 121017408
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820
1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
CID 97338117
2-(piperidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62348885
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652
6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 80651934
(3,3-difluorocyclobutyl)-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]methanone
CID 163358243

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 126874696) is oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is O=C(C1CCOCC1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is DLFWOECWMRFLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c19-18(20,21)15-2-1-3-16(22-15)26-12-13-4-8-23(9-5-13)17(24)14-6-10-25-11-7-14/h1-3,13-14H,4-12H2.
What are the key properties of oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 372.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 126874696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).