1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol

C12H22F3NO2 — CID 103657052

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-10(17)11-3-6-16(7-4-11)5-2-8-18-9-12(13,14)15/h10-11,17H,2-9H2,1H3
InChIKeyQUUFSZMQYBCHHU-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.05
Rot. Bonds6

About 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol (PubChem CID 103657052) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol
PubChem CID103657052
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-10(17)11-3-6-16(7-4-11)5-2-8-18-9-12(13,14)15/h10-11,17H,2-9H2,1H3
InChIKeyQUUFSZMQYBCHHU-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol (CID 103657052) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol is CC(O)C1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol?
The InChIKey is QUUFSZMQYBCHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-10(17)11-3-6-16(7-4-11)5-2-8-18-9-12(13,14)15/h10-11,17H,2-9H2,1H3.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol has a molecular weight of 269.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103657052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).