2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol

C11H20F3NO2 — CID 62019928

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-8-6-15-5-2-1-3-10(15)4-7-16/h10,16H,1-9H2
InChIKeyHNRJXHLQQAUZKS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds6

About 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol

2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol (PubChem CID 62019928) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol
PubChem CID62019928
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-8-6-15-5-2-1-3-10(15)4-7-16/h10,16H,1-9H2
InChIKeyHNRJXHLQQAUZKS-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 75507584
(2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol
CID 84587557
2,2-Difluoro-2-(1-methylpiperidin-2-yl)ethan-1-ol
CID 22124446
Piperidine-1,2-diethanol
CID 43509644
4,4,6,6,7,7,7-Heptafluoro-1-morpholin-4-ylheptan-2-ol
CID 58855373
4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-ol
CID 58855406
4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-Pentadecafluoro-1-morpholin-4-ylundecan-2-ol
CID 58855426
4,4,6,6,7,7,8,8,9,9,10,10,12,12,13,13,13-Heptadecafluoro-1-morpholin-4-yltridecan-2-ol
CID 58855502
[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]methanol
CID 60774899
[1-(2,2-Difluoroethyl)piperidin-2-yl]methanol
CID 62022333
(5R)-9-(2,2,2-trifluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 68036552
9-(2,2,2-Trifluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 77397971

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol (CID 62019928) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol is OCCC1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol?
The InChIKey is HNRJXHLQQAUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-17-8-6-15-5-2-1-3-10(15)4-7-16/h10,16H,1-9H2.
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol?
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol has a molecular weight of 255.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62019928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).