7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C21H25F3N4O2 — CID 146286111

IUPAC7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1cc(OC2CCCN(C(C)c3cnc4c(c3)OCCN4)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H25F3N4O2/c1-13-8-17(10-19(27-13)21(22,23)24)30-16-4-3-6-28(12-16)14(2)15-9-18-20(26-11-15)25-5-7-29-18/h8-11,14,16H,3-7,12H2,1-2H3,(H,25,26)
InChIKeyUYZHABYYRDAXQE-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.21
Rot. Bonds4

About 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 146286111) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID146286111
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Name7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1cc(OC2CCCN(C(C)c3cnc4c(c3)OCCN4)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H25F3N4O2/c1-13-8-17(10-19(27-13)21(22,23)24)30-16-4-3-6-28(12-16)14(2)15-9-18-20(26-11-15)25-5-7-29-18/h8-11,14,16H,3-7,12H2,1-2H3,(H,25,26)
InChIKeyUYZHABYYRDAXQE-UHFFFAOYSA-N
XLogP4.21
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 146286111) is 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Cc1cc(OC2CCCN(C(C)c3cnc4c(c3)OCCN4)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is UYZHABYYRDAXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-13-8-17(10-19(27-13)21(22,23)24)30-16-4-3-6-28(12-16)14(2)15-9-18-20(26-11-15)25-5-7-29-18/h8-11,14,16H,3-7,12H2,1-2H3,(H,25,26).
What are the key properties of 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 422.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 146286111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).