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

C9H16F3NO2 — CID 104709065

IUPAC4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol
SMILESCC1CCN(CC(O)C(F)(F)F)CC1O
InChIInChI=1S/C9H16F3NO2/c1-6-2-3-13(4-7(6)14)5-8(15)9(10,11)12/h6-8,14-15H,2-5H2,1H3
InChIKeyDEFPDWYKMKAIFC-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.61
Rot. Bonds2

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

4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol (PubChem CID 104709065) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol
PubChem CID104709065
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol
SMILESCC1CCN(CC(O)C(F)(F)F)CC1O
InChIInChI=1S/C9H16F3NO2/c1-6-2-3-13(4-7(6)14)5-8(15)9(10,11)12/h6-8,14-15H,2-5H2,1H3
InChIKeyDEFPDWYKMKAIFC-UHFFFAOYSA-N
XLogP0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol (CID 104709065) is 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol is CC1CCN(CC(O)C(F)(F)F)CC1O.
What is the InChIKey of 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol?
The InChIKey is DEFPDWYKMKAIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6-2-3-13(4-7(6)14)5-8(15)9(10,11)12/h6-8,14-15H,2-5H2,1H3.
What are the key properties of 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol?
4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol has a molecular weight of 227.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-ol is sourced from PubChem (CID 104709065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).