2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane

C16H22F2N2O — CID 175648224

IUPAC2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane
SMILESCOc1c(C)cnc(CN2CCCC3(C2)CC3(F)F)c1C
InChIInChI=1S/C16H22F2N2O/c1-11-7-19-13(12(2)14(11)21-3)8-20-6-4-5-15(10-20)9-16(15,17)18/h7H,4-6,8-10H2,1-3H3
InChIKeyBHMYHVVDIPKTOX-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.33
Rot. Bonds3

About 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane

2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane (PubChem CID 175648224) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane
PubChem CID175648224
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane
SMILESCOc1c(C)cnc(CN2CCCC3(C2)CC3(F)F)c1C
InChIInChI=1S/C16H22F2N2O/c1-11-7-19-13(12(2)14(11)21-3)8-20-6-4-5-15(10-20)9-16(15,17)18/h7H,4-6,8-10H2,1-3H3
InChIKeyBHMYHVVDIPKTOX-UHFFFAOYSA-N
XLogP3.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane with MolForge

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Related Compounds

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304899
3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324759
(1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 125140287
(5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95727661
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepane
CID 63388026
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 163356436
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 171994399
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 80691461
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane (CID 175648224) is 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane is COc1c(C)cnc(CN2CCCC3(C2)CC3(F)F)c1C.
What is the InChIKey of 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane?
The InChIKey is BHMYHVVDIPKTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11-7-19-13(12(2)14(11)21-3)8-20-6-4-5-15(10-20)9-16(15,17)18/h7H,4-6,8-10H2,1-3H3.
What are the key properties of 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane?
2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane has a molecular weight of 296.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-azaspiro[2.5]octane is sourced from PubChem (CID 175648224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).