3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one

C10H16F3NO — CID 163485443

IUPAC3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one
SMILESCCC1NCCCC1CC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-8-7(4-3-5-14-8)6-9(15)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyAPMZURPLWMFYJR-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.29
Rot. Bonds3

About 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one

3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one (PubChem CID 163485443) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one
PubChem CID163485443
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one
SMILESCCC1NCCCC1CC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-8-7(4-3-5-14-8)6-9(15)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyAPMZURPLWMFYJR-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 17781806
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(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
CID 59115403
1-(4-Fluoropiperidin-4-yl)hexan-1-one
CID 66633547
3-Amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one
CID 69199406
1,1-Difluoro-1-piperidin-4-ylpropan-2-one
CID 105436777
2,2-Dimethyl-1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 121368340
1-[3-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 121371166
3,3-difluoro-4-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butan-2-one
CID 134335427
1-[5-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 140418735
Ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 144773722
1-[4-(2,2-Difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one
CID 146551408

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one (CID 163485443) is 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one is CCC1NCCCC1CC(=O)C(F)(F)F.
What is the InChIKey of 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one?
The InChIKey is APMZURPLWMFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-2-8-7(4-3-5-14-8)6-9(15)10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one?
3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one has a molecular weight of 223.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 163485443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).