[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone

C20H23FN2O2 — CID 156601763

IUPAC[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCN(C)C1CN(C(=O)c2cccc(F)c2)CCC1(O)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-22(2)18-14-23(19(24)15-7-6-10-17(21)13-15)12-11-20(18,25)16-8-4-3-5-9-16/h3-10,13,18,25H,11-12,14H2,1-2H3
InChIKeyHERHJRRTXUEJGY-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.49
Rot. Bonds3

About [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone

[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 156601763) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID156601763
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCN(C)C1CN(C(=O)c2cccc(F)c2)CCC1(O)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-22(2)18-14-23(19(24)15-7-6-10-17(21)13-15)12-11-20(18,25)16-8-4-3-5-9-16/h3-10,13,18,25H,11-12,14H2,1-2H3
InChIKeyHERHJRRTXUEJGY-UHFFFAOYSA-N
XLogP2.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone
CID 87053319
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
1-[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone;formic acid
CID 171712958
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(3-fluorophenyl)-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]methanone
CID 132649138
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone (CID 156601763) is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone is CN(C)C1CN(C(=O)c2cccc(F)c2)CCC1(O)c1ccccc1.
What is the InChIKey of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is HERHJRRTXUEJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-22(2)18-14-23(19(24)15-7-6-10-17(21)13-15)12-11-20(18,25)16-8-4-3-5-9-16/h3-10,13,18,25H,11-12,14H2,1-2H3.
What are the key properties of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone?
[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 342.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 156601763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).