1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone

C21H23NO2 — CID 98176888

IUPAC1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C21H23NO2/c23-19-13-17-11-12-18(14-19)22(17)21(24)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20,23H,11-14H2/t17-,18-/m0/s1
InChIKeyFPCHYNVZGDFKKW-ROUUACIJSA-N
MW321.42 g/mol
LogP3.33
Rot. Bonds3

About 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone

1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone (PubChem CID 98176888) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone
PubChem CID98176888
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C21H23NO2/c23-19-13-17-11-12-18(14-19)22(17)21(24)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20,23H,11-14H2/t17-,18-/m0/s1
InChIKeyFPCHYNVZGDFKKW-ROUUACIJSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone with MolForge

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Related Compounds

(2R)-2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone
CID 55237223
2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 106591460
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
CID 61234954
(1R,3S,4R)-2-(2,2-diphenylacetyl)-5-phenylmethoxy-2-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 139526552
(1R,3R,4R)-2-(2,2-diphenylacetyl)-5-phenylmethoxy-2-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 175867549
2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667028
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-3-oxopropanoic acid
CID 114898469
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498445
6-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyridine-2-carboxylic acid
CID 63768610
[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 98176880
9H-fluoren-3-yl-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 25103336

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone (CID 98176888) is 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone?
The InChIKey is FPCHYNVZGDFKKW-ROUUACIJSA-N. The full InChI is InChI=1S/C21H23NO2/c23-19-13-17-11-12-18(14-19)22(17)21(24)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20,23H,11-14H2/t17-,18-/m0/s1.
What are the key properties of 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone?
1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone has a molecular weight of 321.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone is sourced from PubChem (CID 98176888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).