1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone

C9H14F3NO — CID 57545254

IUPAC1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC[C@@H]1CCCN(C1)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyQCJWKHADJSYPJK-SSDOTTSWSA-N
MW209.21 g/mol
LogP2.50
Rot. Bonds1

About 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone

1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 57545254) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID57545254
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC[C@@H]1CCCN(C1)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyQCJWKHADJSYPJK-SSDOTTSWSA-N
XLogP2.50
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity215

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3r)-1-Acetyl-3-Methylpiperidine
CID 449120
Ethanone, 1-(3-methyl-1-piperidinyl)-
CID 107304
1-Acetyl-4-methylpiperidine
CID 78341
1-(4-Fluoro-4-methylpiperidin-1-yl)ethanone
CID 67570230
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
3,3,3-Trifluoro-1-(piperidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 4328661
2-Fluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 45080727
2,2,2-Trifluoro-1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
CID 101850279
1-(cis-4-Butyl-3-fluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827892
1-(cis-3,5-Difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827912
2,2,2-Trifluoro-1-(cis-4-fluoro-3-methylpiperidin-1-yl)ethan-1-one
CID 134827923

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone (CID 57545254) is 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone is CC[C@@H]1CCCN(C1)C(=O)C(F)(F)F.
What is the InChIKey of 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is QCJWKHADJSYPJK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone?
1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 209.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-ethylpiperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 57545254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).