8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H23NO2 — CID 63768377

IUPAC8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(CCN2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C16H23NO2/c1-19-16-6-2-12(3-7-16)8-9-17-13-4-5-14(17)11-15(18)10-13/h2-3,6-7,13-15,18H,4-5,8-11H2,1H3
InChIKeyVHOKKIVMSSSGRC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.23
Rot. Bonds4

About 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768377) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768377
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(CCN2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C16H23NO2/c1-19-16-6-2-12(3-7-16)8-9-17-13-4-5-14(17)11-15(18)10-13/h2-3,6-7,13-15,18H,4-5,8-11H2,1H3
InChIKeyVHOKKIVMSSSGRC-UHFFFAOYSA-N
XLogP2.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
4-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
CID 55106666
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol
CID 97085468
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one
CID 84612699
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methoxyphenyl)propan-1-one
CID 122255237
1-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methoxyphenyl)propan-1-one
CID 80670264
(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6946851
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63768377) is 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is COc1ccc(CCN2C3CCC2CC(O)C3)cc1.
What is the InChIKey of 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VHOKKIVMSSSGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16-6-2-12(3-7-16)8-9-17-13-4-5-14(17)11-15(18)10-13/h2-3,6-7,13-15,18H,4-5,8-11H2,1H3.
What are the key properties of 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 261.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).