[1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol

C11H20F3NO — CID 118109864

IUPAC[1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol
SMILESCC(C)(CN1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(2,11(12,13)14)8-15-5-3-9(7-16)4-6-15/h9,16H,3-8H2,1-2H3
InChIKeyXCFQDXBFLMKWJA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.28
Rot. Bonds3

About [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol

[1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol (PubChem CID 118109864) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol
PubChem CID118109864
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol
SMILESCC(C)(CN1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(2,11(12,13)14)8-15-5-3-9(7-16)4-6-15/h9,16H,3-8H2,1-2H3
InChIKeyXCFQDXBFLMKWJA-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol (CID 118109864) is [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol is CC(C)(CN1CCC(CO)CC1)C(F)(F)F.
What is the InChIKey of [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol?
The InChIKey is XCFQDXBFLMKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,11(12,13)14)8-15-5-3-9(7-16)4-6-15/h9,16H,3-8H2,1-2H3.
What are the key properties of [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol?
[1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol has a molecular weight of 239.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 118109864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).