3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane

C15H22N2O — CID 86820574

IUPAC3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane
SMILESCOC1CN(c2ccc(C)cc2)C12CCNCC2
InChIInChI=1S/C15H22N2O/c1-12-3-5-13(6-4-12)17-11-14(18-2)15(17)7-9-16-10-8-15/h3-6,14,16H,7-11H2,1-2H3
InChIKeyKRFXDRZMTXLOCK-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds2

About 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane

3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane (PubChem CID 86820574) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane
PubChem CID86820574
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane
SMILESCOC1CN(c2ccc(C)cc2)C12CCNCC2
InChIInChI=1S/C15H22N2O/c1-12-3-5-13(6-4-12)17-11-14(18-2)15(17)7-9-16-10-8-15/h3-6,14,16H,7-11H2,1-2H3
InChIKeyKRFXDRZMTXLOCK-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane (CID 86820574) is 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane is COC1CN(c2ccc(C)cc2)C12CCNCC2.
What is the InChIKey of 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane?
The InChIKey is KRFXDRZMTXLOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-3-5-13(6-4-12)17-11-14(18-2)15(17)7-9-16-10-8-15/h3-6,14,16H,7-11H2,1-2H3.
What are the key properties of 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane?
3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane has a molecular weight of 246.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylphenyl)-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 86820574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).