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

C10H16F3NO3 — CID 43417461

IUPAC1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)N1CCCC(O)C1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-5-3-9(16)14-4-1-2-8(15)6-14/h8,15H,1-7H2
InChIKeyJCZHKBIKKMGBOQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.94
Rot. Bonds4

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

1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 43417461) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID43417461
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)N1CCCC(O)C1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-5-3-9(16)14-4-1-2-8(15)6-14/h8,15H,1-7H2
InChIKeyJCZHKBIKKMGBOQ-UHFFFAOYSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 93426876
3-Ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 71981892
1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-3-methoxy-2,2-dimethylpropan-1-one
CID 164641026
2,2,2-Trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone
CID 58992584
(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
(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
2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 93426877
1-(3,3-Difluoro-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone
CID 118551804
[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite
CID 121246761
1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261763

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 43417461) is 1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is JCZHKBIKKMGBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-5-3-9(16)14-4-1-2-8(15)6-14/h8,15H,1-7H2.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(3-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 255.24 g/mol, XLogP of 0.94, 4 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)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 43417461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).