(2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

C15H19NO2 — CID 138974146

IUPAC(2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1C2CCC1[C@H]([C@H](O)c1ccccc1)C(=O)C2
InChIInChI=1S/C15H19NO2/c1-16-11-7-8-12(16)14(13(17)9-11)15(18)10-5-3-2-4-6-10/h2-6,11-12,14-15,18H,7-9H2,1H3/t11?,12?,14-,15+/m0/s1
InChIKeyUMMPSTHTHNNUDH-CXTZMWEQSA-N
MW245.32 g/mol
LogP1.77
Rot. Bonds2

About (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

(2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 138974146) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID138974146
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1C2CCC1[C@H]([C@H](O)c1ccccc1)C(=O)C2
InChIInChI=1S/C15H19NO2/c1-16-11-7-8-12(16)14(13(17)9-11)15(18)10-5-3-2-4-6-10/h2-6,11-12,14-15,18H,7-9H2,1H3/t11?,12?,14-,15+/m0/s1
InChIKeyUMMPSTHTHNNUDH-CXTZMWEQSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one
CID 2828727
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (+)-2-methyl-2-phenylhydracrylate ester, hydrochloride
CID 85720
(S)-8-Methyl-3-(1-phenyl-propoxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44348881
Methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate
CID 5260405
Sedinone
CID 14825337
Propionic acid, 3-hydroxy-2-phenyl-, (8-methyl-8-azabicylo(3.2.1)oct-2-ylmethyl) ester
CID 3051495
1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one
CID 14825338
1-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]pentan-2-one
CID 162848140
1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]butan-2-one
CID 162971198
1-[(2S,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one
CID 163016704
Knightinol
CID 156990
[2-[Hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 4486821

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one (CID 138974146) is (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one is CN1C2CCC1[C@H]([C@H](O)c1ccccc1)C(=O)C2.
What is the InChIKey of (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is UMMPSTHTHNNUDH-CXTZMWEQSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-11-7-8-12(16)14(13(17)9-11)15(18)10-5-3-2-4-6-10/h2-6,11-12,14-15,18H,7-9H2,1H3/t11?,12?,14-,15+/m0/s1.
What are the key properties of (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one?
(2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 245.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 138974146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).