2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol

C8H14F3NO — CID 67400457

IUPAC2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-12-4-2-6(3-5-12)7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyWBMQFWXRBHWEAJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol

2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 67400457) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID67400457
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-12-4-2-6(3-5-12)7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyWBMQFWXRBHWEAJ-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol (CID 67400457) is 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is WBMQFWXRBHWEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-4-2-6(3-5-12)7(13)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol?
2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 67400457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).