2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone

C21H25FN2O2 — CID 72889776

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
SMILESCN(C)C(C(=O)N1CCC(O)(c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H25FN2O2/c1-23(2)19(16-7-6-10-18(22)15-16)20(25)24-13-11-21(26,12-14-24)17-8-4-3-5-9-17/h3-10,15,19,26H,11-14H2,1-2H3
InChIKeyPBZRYAPHFQMZLQ-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.94
Rot. Bonds4

About 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone

2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone (PubChem CID 72889776) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
PubChem CID72889776
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
SMILESCN(C)C(C(=O)N1CCC(O)(c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H25FN2O2/c1-23(2)19(16-7-6-10-18(22)15-16)20(25)24-13-11-21(26,12-14-24)17-8-4-3-5-9-17/h3-10,15,19,26H,11-14H2,1-2H3
InChIKeyPBZRYAPHFQMZLQ-UHFFFAOYSA-N
XLogP2.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone (CID 72889776) is 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone is CN(C)C(C(=O)N1CCC(O)(c2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
The InChIKey is PBZRYAPHFQMZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-23(2)19(16-7-6-10-18(22)15-16)20(25)24-13-11-21(26,12-14-24)17-8-4-3-5-9-17/h3-10,15,19,26H,11-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone?
2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone has a molecular weight of 356.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 72889776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).