1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one

C10H16F3NO3 — CID 110890095

IUPAC1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)N1CCCC(O)C1
InChIInChI=1S/C10H16F3NO3/c1-7(17-6-10(11,12)13)9(16)14-4-2-3-8(15)5-14/h7-8,15H,2-6H2,1H3
InChIKeyLONMPCXSGOBMAX-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.94
Rot. Bonds3

About 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one

1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 110890095) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID110890095
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)N1CCCC(O)C1
InChIInChI=1S/C10H16F3NO3/c1-7(17-6-10(11,12)13)9(16)14-4-2-3-8(15)5-14/h7-8,15H,2-6H2,1H3
InChIKeyLONMPCXSGOBMAX-UHFFFAOYSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267294
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267303
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 68307518
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 68378070
(2R)-1-(4-ethoxypiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 68378157
3-(2,2-Difluoroethoxy)-1-(trifluoroacetyl)piperidin-4-one
CID 86648632
1-(3,3-Difluoro-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone
CID 118551804
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 118552153
1-(3,3-Difluoro-4-methoxypiperidin-1-yl)-2-hydroxyethanone
CID 118553700
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 118569745
(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one
CID 121246748

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 110890095) is 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one is CC(OCC(F)(F)F)C(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is LONMPCXSGOBMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7(17-6-10(11,12)13)9(16)14-4-2-3-8(15)5-14/h7-8,15H,2-6H2,1H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 255.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 110890095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).