6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane

C15H21NO — CID 79441453

IUPAC6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCc1ccc(C2CNCCC23CCOC3)cc1
InChIInChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)14-10-16-8-6-15(14)7-9-17-11-15/h2-5,14,16H,6-11H2,1H3
InChIKeyKZICIUBBQUNVRR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.48
Rot. Bonds1

About 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane

6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 79441453) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID79441453
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCc1ccc(C2CNCCC23CCOC3)cc1
InChIInChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)14-10-16-8-6-15(14)7-9-17-11-15/h2-5,14,16H,6-11H2,1H3
InChIKeyKZICIUBBQUNVRR-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441983
5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
CID 79441835
3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441383
3'-(4-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432560
2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane
CID 106824876
5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79432333
11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane
CID 79434196
6-propyl-2-oxa-8-azaspiro[4.5]decane
CID 79321500
11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane
CID 79454348
11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79433041
11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79432043
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane (CID 79441453) is 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane is Cc1ccc(C2CNCCC23CCOC3)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is KZICIUBBQUNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)14-10-16-8-6-15(14)7-9-17-11-15/h2-5,14,16H,6-11H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane?
6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 231.34 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79441453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).