2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine

C12H15F3N2O — CID 177207225

IUPAC2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESC[C@@H]1CC[C@H](Oc2cccc(C(F)(F)F)n2)CN1
InChIInChI=1S/C12H15F3N2O/c1-8-5-6-9(7-16-8)18-11-4-2-3-10(17-11)12(13,14)15/h2-4,8-9,16H,5-7H2,1H3/t8-,9+/m1/s1
InChIKeyAUUUXMSNJVGBOT-BDAKNGLRSA-N
MW260.26 g/mol
LogP2.62
Rot. Bonds2

About 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine

2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine (PubChem CID 177207225) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine
PubChem CID177207225
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESC[C@@H]1CC[C@H](Oc2cccc(C(F)(F)F)n2)CN1
InChIInChI=1S/C12H15F3N2O/c1-8-5-6-9(7-16-8)18-11-4-2-3-10(17-11)12(13,14)15/h2-4,8-9,16H,5-7H2,1H3/t8-,9+/m1/s1
InChIKeyAUUUXMSNJVGBOT-BDAKNGLRSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiolan-3-yloxy)-6-(trifluoromethyl)pyridine
CID 126954786
N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide
CID 122252108
N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252087
(4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251806
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769
2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine
CID 122252114
1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251919
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252095
2-(piperidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62348885
(4-bromophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251830
2-[1-[(3-methylphenyl)methylsulfonyl]azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252154
3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one
CID 122251746

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine (CID 177207225) is 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine is C[C@@H]1CC[C@H](Oc2cccc(C(F)(F)F)n2)CN1.
What is the InChIKey of 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The InChIKey is AUUUXMSNJVGBOT-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-5-6-9(7-16-8)18-11-4-2-3-10(17-11)12(13,14)15/h2-4,8-9,16H,5-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine has a molecular weight of 260.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 177207225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).