1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone

C11H20F2N2O2 — CID 83992992

IUPAC1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(NCC(F)F)CC(C(C)O)C1
InChIInChI=1S/C11H20F2N2O2/c1-7(16)9-3-10(14-4-11(12)13)6-15(5-9)8(2)17/h7,9-11,14,16H,3-6H2,1-2H3
InChIKeyCSRXNJSXGRDIHB-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.46
Rot. Bonds4

About 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone

1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 83992992) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID83992992
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(NCC(F)F)CC(C(C)O)C1
InChIInChI=1S/C11H20F2N2O2/c1-7(16)9-3-10(14-4-11(12)13)6-15(5-9)8(2)17/h7,9-11,14,16H,3-6H2,1-2H3
InChIKeyCSRXNJSXGRDIHB-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
2-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]acetonitrile
CID 83993356
N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542253
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83989811
1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83992859
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone (CID 83992992) is 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone is CC(=O)N1CC(NCC(F)F)CC(C(C)O)C1.
What is the InChIKey of 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is CSRXNJSXGRDIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-7(16)9-3-10(14-4-11(12)13)6-15(5-9)8(2)17/h7,9-11,14,16H,3-6H2,1-2H3.
What are the key properties of 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone?
1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 250.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 83992992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).