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

C15H17F4NO — CID 90254017

IUPAC4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17F4NO/c16-13-3-1-11(2-4-13)12-6-9-20(10-7-12)14(21)5-8-15(17,18)19/h1-4,12H,5-10H2
InChIKeyITAKDOUYMNISSA-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.87
Rot. Bonds3

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

4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one (PubChem CID 90254017) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one
PubChem CID90254017
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H17F4NO/c16-13-3-1-11(2-4-13)12-6-9-20(10-7-12)14(21)5-8-15(17,18)19/h1-4,12H,5-10H2
InChIKeyITAKDOUYMNISSA-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

AI3-37157
CID 760213
AI3-37156
CID 897567
Piperidine, N-acetyl-4-benzyl-
CID 299608
4-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 9804326
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
1-Methyl-5-phenyl-piperidin-2-one
CID 12012176
4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
CID 23723278
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
1-(3-Methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 2891223
3,5-Dimethyl-1-(3-phenylpropanoyl)piperidine
CID 2904340
2-(4-Fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1-yl}-3-(4-fluoro-phenyl)-propan-1-one
CID 11113605

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one (CID 90254017) is 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one?
The InChIKey is ITAKDOUYMNISSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c16-13-3-1-11(2-4-13)12-6-9-20(10-7-12)14(21)5-8-15(17,18)19/h1-4,12H,5-10H2.
What are the key properties of 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one has a molecular weight of 303.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 90254017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).