1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone

C10H16F3NO — CID 130640020

IUPAC1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC[C@@H]1CC[C@H](C)N(C(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-3-8-5-4-7(2)14(6-8)9(15)10(11,12)13/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyAHGJJZIIVMLGFS-JGVFFNPUSA-N
MW223.24 g/mol
LogP2.59
Rot. Bonds1

About 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone

1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 130640020) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID130640020
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC[C@@H]1CC[C@H](C)N(C(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-3-8-5-4-7(2)14(6-8)9(15)10(11,12)13/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyAHGJJZIIVMLGFS-JGVFFNPUSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one
CID 71363306
1-[(2S)-5-ethyl-2-methylpiperidin-1-yl]prop-2-en-1-one
CID 138539008
(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide
CID 130697867
2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone
CID 171796784
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
CID 154089606
1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 58542340
2,2,2-trifluoro-1-(2,5,5-trimethylpiperidin-1-yl)ethanone
CID 101411695
(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 112734433
2,2,2-trifluoro-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 78960092
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
CID 112734411
1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 131046290

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone (CID 130640020) is 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone is CC[C@@H]1CC[C@H](C)N(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is AHGJJZIIVMLGFS-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-3-8-5-4-7(2)14(6-8)9(15)10(11,12)13/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone?
1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 223.24 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 130640020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).