[3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol

C11H20F3NO2 — CID 66058528

IUPAC[3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol
SMILESOCC1(CCCOCC(F)(F)F)CCCNC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-6-2-4-10(8-16)3-1-5-15-7-10/h15-16H,1-9H2
InChIKeyGOPJNMHJBYLQJS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.71
Rot. Bonds6

About [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol

[3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol (PubChem CID 66058528) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol
PubChem CID66058528
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol
SMILESOCC1(CCCOCC(F)(F)F)CCCNC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-6-2-4-10(8-16)3-1-5-15-7-10/h15-16H,1-9H2
InChIKeyGOPJNMHJBYLQJS-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
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 [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol (CID 66058528) is [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol is OCC1(CCCOCC(F)(F)F)CCCNC1.
What is the InChIKey of [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol?
The InChIKey is GOPJNMHJBYLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-17-6-2-4-10(8-16)3-1-5-15-7-10/h15-16H,1-9H2.
What are the key properties of [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol?
[3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol has a molecular weight of 255.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 66058528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).