7-(4-methylphenoxy)-2-azaspiro[3.5]nonane

C15H21NO — CID 175711448

IUPAC7-(4-methylphenoxy)-2-azaspiro[3.5]nonane
SMILESCc1ccc(OC2CCC3(CC2)CNC3)cc1
InChIInChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)17-14-6-8-15(9-7-14)10-16-11-15/h2-5,14,16H,6-11H2,1H3
InChIKeyOZYIDNWMMWFORJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds2

About 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane

7-(4-methylphenoxy)-2-azaspiro[3.5]nonane (PubChem CID 175711448) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(4-methylphenoxy)-2-azaspiro[3.5]nonane
PubChem CID175711448
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name7-(4-methylphenoxy)-2-azaspiro[3.5]nonane
SMILESCc1ccc(OC2CCC3(CC2)CNC3)cc1
InChIInChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)17-14-6-8-15(9-7-14)10-16-11-15/h2-5,14,16H,6-11H2,1H3
InChIKeyOZYIDNWMMWFORJ-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane?
The IUPAC name of 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane (CID 175711448) is 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane is Cc1ccc(OC2CCC3(CC2)CNC3)cc1.
What is the InChIKey of 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane?
The InChIKey is OZYIDNWMMWFORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)17-14-6-8-15(9-7-14)10-16-11-15/h2-5,14,16H,6-11H2,1H3.
What are the key properties of 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane?
7-(4-methylphenoxy)-2-azaspiro[3.5]nonane has a molecular weight of 231.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenoxy)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 175711448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).