1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol

C8H14F3NO — CID 50987534

IUPAC1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol
SMILESCC(O)(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-2-4-12-5-3-6/h6,12-13H,2-5H2,1H3
InChIKeyCLMDMJJVIPEREU-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds1

About 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol

1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol (PubChem CID 50987534) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol
PubChem CID50987534
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol
SMILESCC(O)(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-2-4-12-5-3-6/h6,12-13H,2-5H2,1H3
InChIKeyCLMDMJJVIPEREU-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol (CID 50987534) is 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol is CC(O)(C1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol?
The InChIKey is CLMDMJJVIPEREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-2-4-12-5-3-6/h6,12-13H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol?
1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol is sourced from PubChem (CID 50987534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).