8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C19H20F2N2O2 — CID 46044647

IUPAC8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c20-16-1-2-17(18(21)10-16)15-9-14(11-22-12-15)13-23-5-3-19(4-6-23)24-7-8-25-19/h1-2,9-12H,3-8,13H2
InChIKeyHXRQJCLLXCHCDQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.37
Rot. Bonds3

About 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 46044647) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID46044647
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c20-16-1-2-17(18(21)10-16)15-9-14(11-22-12-15)13-23-5-3-19(4-6-23)24-7-8-25-19/h1-2,9-12H,3-8,13H2
InChIKeyHXRQJCLLXCHCDQ-UHFFFAOYSA-N
XLogP3.37
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 46044647) is 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)c(F)c1.
What is the InChIKey of 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HXRQJCLLXCHCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-1-2-17(18(21)10-16)15-9-14(11-22-12-15)13-23-5-3-19(4-6-23)24-7-8-25-19/h1-2,9-12H,3-8,13H2.
What are the key properties of 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 346.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 46044647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).