1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane

C16H25N3O — CID 64845816

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCOc1cccc(CN2CCNCC23CCCCC3)n1
InChIInChI=1S/C16H25N3O/c1-20-15-7-5-6-14(18-15)12-19-11-10-17-13-16(19)8-3-2-4-9-16/h5-7,17H,2-4,8-13H2,1H3
InChIKeyZJMHYGFREVFECJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds3

About 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane

1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64845816) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64845816
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCOc1cccc(CN2CCNCC23CCCCC3)n1
InChIInChI=1S/C16H25N3O/c1-20-15-7-5-6-14(18-15)12-19-11-10-17-13-16(19)8-3-2-4-9-16/h5-7,17H,2-4,8-13H2,1H3
InChIKeyZJMHYGFREVFECJ-UHFFFAOYSA-N
XLogP2.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 64845816) is 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane is COc1cccc(CN2CCNCC23CCCCC3)n1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZJMHYGFREVFECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-15-7-5-6-14(18-15)12-19-11-10-17-13-16(19)8-3-2-4-9-16/h5-7,17H,2-4,8-13H2,1H3.
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 275.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64845816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).