8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C20H24N2O2 — CID 171957624

IUPAC8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ncccc1C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-24-19-18(8-5-11-21-19)20(23)12-16-9-10-17(13-20)22(16)14-15-6-3-2-4-7-15/h2-8,11,16-17,23H,9-10,12-14H2,1H3
InChIKeyAANBOVNNTGRGJL-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.10
Rot. Bonds4

About 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171957624) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171957624
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ncccc1C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-24-19-18(8-5-11-21-19)20(23)12-16-9-10-17(13-20)22(16)14-15-6-3-2-4-7-15/h2-8,11,16-17,23H,9-10,12-14H2,1H3
InChIKeyAANBOVNNTGRGJL-UHFFFAOYSA-N
XLogP3.10
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957630
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964404
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
(5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 95808057
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171958821
9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957681
3-(2,4-dimethoxypyrimidin-5-yl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 110215291
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile
CID 171953892
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171957624) is 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is COc1ncccc1C1(O)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AANBOVNNTGRGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-18(8-5-11-21-19)20(23)12-16-9-10-17(13-20)22(16)14-15-6-3-2-4-7-15/h2-8,11,16-17,23H,9-10,12-14H2,1H3.
What are the key properties of 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 324.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).