4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

C15H21NO2 — CID 105366009

IUPAC4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESCOc1ccccc1CC1(O)CCN2CCC1C2
InChIInChI=1S/C15H21NO2/c1-18-14-5-3-2-4-12(14)10-15(17)7-9-16-8-6-13(15)11-16/h2-5,13,17H,6-11H2,1H3
InChIKeyYUKMCMJQUNZLMY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.69
Rot. Bonds3

About 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105366009) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105366009
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESCOc1ccccc1CC1(O)CCN2CCC1C2
InChIInChI=1S/C15H21NO2/c1-18-14-5-3-2-4-12(14)10-15(17)7-9-16-8-6-13(15)11-16/h2-5,13,17H,6-11H2,1H3
InChIKeyYUKMCMJQUNZLMY-UHFFFAOYSA-N
XLogP1.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(quinolin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365938
1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65050430
4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105366023
4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365215
4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365768
4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol
CID 83823956
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449892
1-[(2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852943
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
CID 65077660
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
(2-(111C)methoxyphenyl)methanol
CID 59897789
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (CID 105366009) is 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is COc1ccccc1CC1(O)CCN2CCC1C2.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is YUKMCMJQUNZLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-14-5-3-2-4-12(14)10-15(17)7-9-16-8-6-13(15)11-16/h2-5,13,17H,6-11H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 247.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105366009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).