1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol

C8H14F3NO2 — CID 3498190

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol
SMILESOC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)7(14)5-12-3-1-6(13)2-4-12/h6-7,13-14H,1-5H2
InChIKeyYRSYGPWOWRZLTK-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.37
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol

1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol (PubChem CID 3498190) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol
PubChem CID3498190
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol
SMILESOC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)7(14)5-12-3-1-6(13)2-4-12/h6-7,13-14H,1-5H2
InChIKeyYRSYGPWOWRZLTK-UHFFFAOYSA-N
XLogP0.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol (CID 3498190) is 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol is OC1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol?
The InChIKey is YRSYGPWOWRZLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)7(14)5-12-3-1-6(13)2-4-12/h6-7,13-14H,1-5H2.
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol?
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol has a molecular weight of 213.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-ol is sourced from PubChem (CID 3498190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).