3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol

C14H19NO2 — CID 12938005

IUPAC3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESCOc1cccc(C2(O)CN3CCC2CC3)c1
InChIInChI=1S/C14H19NO2/c1-17-13-4-2-3-12(9-13)14(16)10-15-7-5-11(14)6-8-15/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyUAQYYXHREPSVMZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.61
Rot. Bonds2

About 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol

3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 12938005) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID12938005
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESCOc1cccc(C2(O)CN3CCC2CC3)c1
InChIInChI=1S/C14H19NO2/c1-17-13-4-2-3-12(9-13)14(16)10-15-7-5-11(14)6-8-15/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyUAQYYXHREPSVMZ-UHFFFAOYSA-N
XLogP1.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol;oxalic acid
CID 19802625
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
CID 57265905
1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
CID 3056591
3-dibenzothiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol
CID 139688679
4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol
CID 22146616
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
3-(furan-3-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15196231
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
3-(3-methoxyanilino)-1-azabicyclo[2.2.2]octane-3-carbonitrile
CID 54887533

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol (CID 12938005) is 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol is COc1cccc(C2(O)CN3CCC2CC3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is UAQYYXHREPSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-13-4-2-3-12(9-13)14(16)10-15-7-5-11(14)6-8-15/h2-4,9,11,16H,5-8,10H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol?
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 233.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 12938005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).