2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone

C17H25FN2O2 — CID 72841619

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCN(C)C(C(=O)N1CCC(CCO)CC1)c1ccccc1F
InChIInChI=1S/C17H25FN2O2/c1-19(2)16(14-5-3-4-6-15(14)18)17(22)20-10-7-13(8-11-20)9-12-21/h3-6,13,16,21H,7-12H2,1-2H3
InChIKeyIUCKOIVTVDFGCI-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.05
Rot. Bonds5

About 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone

2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 72841619) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID72841619
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCN(C)C(C(=O)N1CCC(CCO)CC1)c1ccccc1F
InChIInChI=1S/C17H25FN2O2/c1-19(2)16(14-5-3-4-6-15(14)18)17(22)20-10-7-13(8-11-20)9-12-21/h3-6,13,16,21H,7-12H2,1-2H3
InChIKeyIUCKOIVTVDFGCI-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 72841619) is 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone is CN(C)C(C(=O)N1CCC(CCO)CC1)c1ccccc1F.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is IUCKOIVTVDFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-19(2)16(14-5-3-4-6-15(14)18)17(22)20-10-7-13(8-11-20)9-12-21/h3-6,13,16,21H,7-12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 308.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72841619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).