6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol

C17H25NO2 — CID 141465392

IUPAC6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol
SMILESCOc1cccc(C2(O)CCCCC23CCCN3C)c1
InChIInChI=1S/C17H25NO2/c1-18-12-6-10-16(18)9-3-4-11-17(16,19)14-7-5-8-15(13-14)20-2/h5,7-8,13,19H,3-4,6,9-12H2,1-2H3
InChIKeyMQDYBXRFEGKADF-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.92
Rot. Bonds2

About 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol

6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol (PubChem CID 141465392) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol
PubChem CID141465392
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol
SMILESCOc1cccc(C2(O)CCCCC23CCCN3C)c1
InChIInChI=1S/C17H25NO2/c1-18-12-6-10-16(18)9-3-4-11-17(16,19)14-7-5-8-15(13-14)20-2/h5,7-8,13,19H,3-4,6,9-12H2,1-2H3
InChIKeyMQDYBXRFEGKADF-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
CID 13363428
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
(3R)-3-(3-methoxyphenyl)-1,3-dimethylpiperidine
CID 129404218
trans-(1S,3R)-3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-2,2-dimethylcycloheptan-1-ol
CID 163525508
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
CID 3056591
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
(3R)-3-(3-methoxyphenyl)-1,3-dimethylazepan-2-one
CID 11831761
1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)piperidin-3-ol
CID 11560902
(4aS,8aS)-4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 13107984
(5aR,8aS)-5a-(3-methoxyphenyl)-2-methyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[c]azepin-1-one
CID 86736363

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol?
The IUPAC name of 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol (CID 141465392) is 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol?
The canonical SMILES for 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol is COc1cccc(C2(O)CCCCC23CCCN3C)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol?
The InChIKey is MQDYBXRFEGKADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-12-6-10-16(18)9-3-4-11-17(16,19)14-7-5-8-15(13-14)20-2/h5,7-8,13,19H,3-4,6,9-12H2,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol?
6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol has a molecular weight of 275.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 141465392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).