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

C10H16F3NO2 — CID 79205204

IUPAC4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCO)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8-3-1-5-14(7-8)9(16)4-2-6-15/h8,15H,1-7H2
InChIKeyPWEZLAVNXIEAFE-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.56
Rot. Bonds3

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

4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one (PubChem CID 79205204) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
PubChem CID79205204
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCO)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8-3-1-5-14(7-8)9(16)4-2-6-15/h8,15H,1-7H2
InChIKeyPWEZLAVNXIEAFE-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.56
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]butan-1-one?
The IUPAC name of 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one (CID 79205204) is 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one is O=C(CCCO)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one?
The InChIKey is PWEZLAVNXIEAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)8-3-1-5-14(7-8)9(16)4-2-6-15/h8,15H,1-7H2.
What are the key properties of 4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one?
4-hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.56, 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]butan-1-one is sourced from PubChem (CID 79205204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).