[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone

C18H22N2O3 — CID 87053319

IUPAC[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone
SMILESCN(C)[C@@H]1CN(C(=O)c2ccco2)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-19(2)16-13-20(17(21)15-9-6-12-23-15)11-10-18(16,22)14-7-4-3-5-8-14/h3-9,12,16,22H,10-11,13H2,1-2H3/t16-,18+/m1/s1
InChIKeyFBJAVBJZLOXOFX-AEFFLSMTSA-N
MW314.38 g/mol
LogP1.94
Rot. Bonds3

About [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone

[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 87053319) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone
PubChem CID87053319
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone
SMILESCN(C)[C@@H]1CN(C(=O)c2ccco2)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-19(2)16-13-20(17(21)15-9-6-12-23-15)11-10-18(16,22)14-7-4-3-5-8-14/h3-9,12,16,22H,10-11,13H2,1-2H3/t16-,18+/m1/s1
InChIKeyFBJAVBJZLOXOFX-AEFFLSMTSA-N
XLogP1.94
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 156602389
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 133141655
1-[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone;formic acid
CID 171712958
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(furan-2-yl)methanone
CID 81097623
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone (CID 87053319) is [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone is CN(C)[C@@H]1CN(C(=O)c2ccco2)CC[C@]1(O)c1ccccc1.
What is the InChIKey of [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is FBJAVBJZLOXOFX-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19(2)16-13-20(17(21)15-9-6-12-23-15)11-10-18(16,22)14-7-4-3-5-8-14/h3-9,12,16,22H,10-11,13H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone?
[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 314.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 87053319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).