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

C15H24F3NO2 — CID 79536546

IUPAC4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)9-8-14(21)19-10-4-3-6-12(19)11-5-1-2-7-13(11)20/h11-13,20H,1-10H2
InChIKeyZLNDEJDLQXDDOM-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.26
Rot. Bonds3

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

4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one (PubChem CID 79536546) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
PubChem CID79536546
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)9-8-14(21)19-10-4-3-6-12(19)11-5-1-2-7-13(11)20/h11-13,20H,1-10H2
InChIKeyZLNDEJDLQXDDOM-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one (CID 79536546) is 4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCCCC1C1CCCCC1O.
What is the InChIKey of 4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one?
The InChIKey is ZLNDEJDLQXDDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)9-8-14(21)19-10-4-3-6-12(19)11-5-1-2-7-13(11)20/h11-13,20H,1-10H2.
What are the key properties of 4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one has a molecular weight of 307.36 g/mol, XLogP of 3.26, 3 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-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 79536546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).