1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone

C9H14F3NO — CID 62490949

IUPAC1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h7H,2-6H2,1H3
InChIKeyQCJWKHADJSYPJK-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.20
Rot. Bonds1

About 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone

1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 62490949) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID62490949
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h7H,2-6H2,1H3
InChIKeyQCJWKHADJSYPJK-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458
2-[(3S)-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]acetic acid
CID 94539611
1-(3-ethylpiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80548544
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one
CID 80556941
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
2,2,3,3,3-pentafluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 114037853
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
2-methylpentan-2-yl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216140
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 62490949) is 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone is CCC1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is QCJWKHADJSYPJK-UHFFFAOYSA-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.
What are the key properties of 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 209.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 62490949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).