4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol

C10H21F2NO3 — CID 145131579

IUPAC4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol
SMILESCC(C)(C)O.ON1CCC(OC(F)F)CC1
InChIInChI=1S/C6H11F2NO2.C4H10O/c7-6(8)11-5-1-3-9(10)4-2-5;1-4(2,3)5/h5-6,10H,1-4H2;5H,1-3H3
InChIKeyREHLSLYOZXLZSL-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.86
Rot. Bonds2

About 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol

4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol (PubChem CID 145131579) has the molecular formula C10H21F2NO3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol
PubChem CID145131579
Molecular FormulaC10H21F2NO3
Molecular Weight241.28 g/mol
Exact Mass241.15
IUPAC Name4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol
SMILESCC(C)(C)O.ON1CCC(OC(F)F)CC1
InChIInChI=1S/C6H11F2NO2.C4H10O/c7-6(8)11-5-1-3-9(10)4-2-5;1-4(2,3)5/h5-6,10H,1-4H2;5H,1-3H3
InChIKeyREHLSLYOZXLZSL-UHFFFAOYSA-N
XLogP1.86
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-4-methylpiperidine;2-methylpropan-2-ol
CID 167511279
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1-(difluoromethoxy)-4-methylcyclohexane;ethene
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1-cyclobutyl-3-(difluoromethoxy)pyrrolidine
CID 130874922
1-[(3R)-3-(difluoromethoxy)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406902
tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
CID 85204387
3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890531
3-(difluoromethoxy)-1-ethylpiperidine
CID 130226338
1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane
CID 176693193
tert-butyl N-[1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 175188195
(3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol
CID 58469119

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol?
The IUPAC name of 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol (CID 145131579) is 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol.
What is the SMILES notation for 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol?
The canonical SMILES for 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol is CC(C)(C)O.ON1CCC(OC(F)F)CC1.
What is the InChIKey of 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol?
The InChIKey is REHLSLYOZXLZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2.C4H10O/c7-6(8)11-5-1-3-9(10)4-2-5;1-4(2,3)5/h5-6,10H,1-4H2;5H,1-3H3.
What are the key properties of 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol?
4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol has a molecular weight of 241.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol is sourced from PubChem (CID 145131579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).