7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane

C15H20F2N2O — CID 162746053

IUPAC7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane
SMILESFC(F)Oc1ccc(CC2CCC3(CC2)CNC3)cn1
InChIInChI=1S/C15H20F2N2O/c16-14(17)20-13-2-1-12(8-19-13)7-11-3-5-15(6-4-11)9-18-10-15/h1-2,8,11,14,18H,3-7,9-10H2
InChIKeyCZKMFGQBMQMYOP-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.01
Rot. Bonds4

About 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane

7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane (PubChem CID 162746053) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane
PubChem CID162746053
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane
SMILESFC(F)Oc1ccc(CC2CCC3(CC2)CNC3)cn1
InChIInChI=1S/C15H20F2N2O/c16-14(17)20-13-2-1-12(8-19-13)7-11-3-5-15(6-4-11)9-18-10-15/h1-2,8,11,14,18H,3-7,9-10H2
InChIKeyCZKMFGQBMQMYOP-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane?
The IUPAC name of 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane (CID 162746053) is 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane is FC(F)Oc1ccc(CC2CCC3(CC2)CNC3)cn1.
What is the InChIKey of 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane?
The InChIKey is CZKMFGQBMQMYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-14(17)20-13-2-1-12(8-19-13)7-11-3-5-15(6-4-11)9-18-10-15/h1-2,8,11,14,18H,3-7,9-10H2.
What are the key properties of 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane?
7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane has a molecular weight of 282.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 162746053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).