1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone

C10H18F2N2O — CID 129496940

IUPAC1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC[C@@H](C(C)(F)F)C1
InChIInChI=1S/C10H18F2N2O/c1-10(11,12)8-4-3-5-14(7-8)9(15)6-13-2/h8,13H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLBXMSGRAKFFOPR-MRVPVSSYSA-N
MW220.26 g/mol
LogP1.10
Rot. Bonds3

About 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone

1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 129496940) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID129496940
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC[C@@H](C(C)(F)F)C1
InChIInChI=1S/C10H18F2N2O/c1-10(11,12)8-4-3-5-14(7-8)9(15)6-13-2/h8,13H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLBXMSGRAKFFOPR-MRVPVSSYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 121200961
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
(E)-4-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 129494795
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 129495393

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone (CID 129496940) is 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC[C@@H](C(C)(F)F)C1.
What is the InChIKey of 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is LBXMSGRAKFFOPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-10(11,12)8-4-3-5-14(7-8)9(15)6-13-2/h8,13H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone?
1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 220.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 129496940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).