1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone

C11H18F3NO — CID 162620815

IUPAC1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCCCC1CCCCN1C(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-2-3-6-9-7-4-5-8-15(9)10(16)11(12,13)14/h9H,2-8H2,1H3
InChIKeyFOSGNBKZMGVHNE-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.12
Rot. Bonds3

About 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone

1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 162620815) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID162620815
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCCCC1CCCCN1C(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-2-3-6-9-7-4-5-8-15(9)10(16)11(12,13)14/h9H,2-8H2,1H3
InChIKeyFOSGNBKZMGVHNE-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 69469776
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[(2R)-1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methylperoxythallium
CID 142455278
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid
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2-amino-2-cyclopropyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053178
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755560
2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide
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[2-(bromomethyl)azepan-1-yl]-(4-butylcyclohexyl)methanone
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1-(2-ethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
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CID 169137651

Frequently Asked Questions

What is the IUPAC name of 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 162620815) is 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone is CCCCC1CCCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is FOSGNBKZMGVHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-3-6-9-7-4-5-8-15(9)10(16)11(12,13)14/h9H,2-8H2,1H3.
What are the key properties of 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 237.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 162620815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).