1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one

C11H19F2NO2 — CID 126716199

IUPAC1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(O)CC(C(F)F)C1
InChIInChI=1S/C11H19F2NO2/c1-2-3-4-10(16)14-6-8(11(12)13)5-9(15)7-14/h8-9,11,15H,2-7H2,1H3
InChIKeyYNYNEDHCTHYFRM-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.65
Rot. Bonds4

About 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one

1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one (PubChem CID 126716199) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
PubChem CID126716199
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(O)CC(C(F)F)C1
InChIInChI=1S/C11H19F2NO2/c1-2-3-4-10(16)14-6-8(11(12)13)5-9(15)7-14/h8-9,11,15H,2-7H2,1H3
InChIKeyYNYNEDHCTHYFRM-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one (CID 126716199) is 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one is CCCCC(=O)N1CC(O)CC(C(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one?
The InChIKey is YNYNEDHCTHYFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-2-3-4-10(16)14-6-8(11(12)13)5-9(15)7-14/h8-9,11,15H,2-7H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one?
1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one has a molecular weight of 235.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 126716199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).