3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol

C11H20F3NO2 — CID 114502520

IUPAC3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol
SMILESCC1CN(CCCOCC(F)(F)F)CCC1O
InChIInChI=1S/C11H20F3NO2/c1-9-7-15(5-3-10(9)16)4-2-6-17-8-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyYPBPBJRFYDIYRP-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.66
Rot. Bonds5

About 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol

3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol (PubChem CID 114502520) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol
PubChem CID114502520
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol
SMILESCC1CN(CCCOCC(F)(F)F)CCC1O
InChIInChI=1S/C11H20F3NO2/c1-9-7-15(5-3-10(9)16)4-2-6-17-8-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyYPBPBJRFYDIYRP-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.66
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 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol (CID 114502520) is 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol is CC1CN(CCCOCC(F)(F)F)CCC1O.
What is the InChIKey of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol?
The InChIKey is YPBPBJRFYDIYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9-7-15(5-3-10(9)16)4-2-6-17-8-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol?
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol has a molecular weight of 255.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-ol is sourced from PubChem (CID 114502520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).