4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one

C11H18F3NO2 — CID 79205205

IUPAC4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-8(16)4-5-10(17)15-6-2-3-9(7-15)11(12,13)14/h8-9,16H,2-7H2,1H3
InChIKeyMVEAPDOYSUBIHK-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.95
Rot. Bonds3

About 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one

4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one (PubChem CID 79205205) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
PubChem CID79205205
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-8(16)4-5-10(17)15-6-2-3-9(7-15)11(12,13)14/h8-9,16H,2-7H2,1H3
InChIKeyMVEAPDOYSUBIHK-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one (CID 79205205) is 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one is CC(O)CCC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is MVEAPDOYSUBIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8(16)4-5-10(17)15-6-2-3-9(7-15)11(12,13)14/h8-9,16H,2-7H2,1H3.
What are the key properties of 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 253.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 79205205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).