1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C10H16F3NO2 — CID 94025750

IUPAC1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESC[C@H]1CCCCN1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-8-4-2-3-5-14(8)9(15)6-16-7-10(11,12)13/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyAMJBIRBASUSANS-QMMMGPOBSA-N
MW239.24 g/mol
LogP1.97
Rot. Bonds3

About 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 94025750) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID94025750
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESC[C@H]1CCCCN1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-8-4-2-3-5-14(8)9(15)6-16-7-10(11,12)13/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyAMJBIRBASUSANS-QMMMGPOBSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
N-cyclohexyl-2-methoxy-N-methylacetamide
CID 45865481
N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 5142237
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
1-(2,5-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 53527409
N-cyclohexyl-4-methyl-N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide
CID 71858932
1-[(3S)-3-ethylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 93617975
1-(3,3-Difluoro-9-azabicyclo[3.3.1]nonan-9-yl)-2-pentoxyethanone
CID 126837860
Acetic acid-2-(4,4-difluoro-piperidin-1-yl)-2-oxo-ethyl Ester
CID 57749455
2,2-Difluoro-4-methyl-5,6-di(propan-2-yl)morpholin-3-one
CID 123548605
1-[(3S)-3-fluoropiperidin-1-yl]-2-methoxyethanone
CID 129270829
1-(4,4-Difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone
CID 130457597

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 94025750) is 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is C[C@H]1CCCCN1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is AMJBIRBASUSANS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-8-4-2-3-5-14(8)9(15)6-16-7-10(11,12)13/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 94025750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).