4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one

C11H18F3NO2 — CID 121200615

IUPAC4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(CCO)CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-1-10(17)15-6-2-9(3-7-15)4-8-16/h9,16H,1-8H2
InChIKeyQSAHVJTZRWWDFF-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.95
Rot. Bonds4

About 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one (PubChem CID 121200615) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
PubChem CID121200615
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(CCO)CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-1-10(17)15-6-2-9(3-7-15)4-8-16/h9,16H,1-8H2
InChIKeyQSAHVJTZRWWDFF-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119546844
N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide
CID 128996332
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 79410280
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
4,4,4-trifluoro-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999728
4,4,4-trifluoro-1-[4-(2,4,6-trifluorophenyl)piperidin-1-yl]butan-1-one
CID 90254014
4-(4,4,4-trifluorobutanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493123
1-(4-bromo-3-methylpiperidin-1-yl)-4,4,4-trifluorobutan-1-one
CID 114683535
4,4,4-trifluoro-1-(3-methylsulfonylpyrrolidin-1-yl)butan-1-one
CID 90586991
N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 121200657
methyl 1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-carboxylate
CID 79035901
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one (CID 121200615) is 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCC(CCO)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The InChIKey is QSAHVJTZRWWDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)5-1-10(17)15-6-2-9(3-7-15)4-8-16/h9,16H,1-8H2.
What are the key properties of 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one has a molecular weight of 253.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 121200615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).