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

C11H18F3NO2 — CID 79200043

IUPAC5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
SMILESO=C(CCCCO)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9-4-3-6-15(8-9)10(17)5-1-2-7-16/h9,16H,1-8H2
InChIKeyYELBOXXAIGOYPC-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.95
Rot. Bonds4

About 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one

5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one (PubChem CID 79200043) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
PubChem CID79200043
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
SMILESO=C(CCCCO)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9-4-3-6-15(8-9)10(17)5-1-2-7-16/h9,16H,1-8H2
InChIKeyYELBOXXAIGOYPC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one (CID 79200043) is 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one is O=C(CCCCO)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is YELBOXXAIGOYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)9-4-3-6-15(8-9)10(17)5-1-2-7-16/h9,16H,1-8H2.
What are the key properties of 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one?
5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-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 5-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 79200043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).