1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol

C15H26F3NO2 — CID 167782635

IUPAC1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol
SMILESCC1CCC(CCN2CCC(O)(CCC(F)(F)F)CC2)O1
InChIInChI=1S/C15H26F3NO2/c1-12-2-3-13(21-12)4-9-19-10-7-14(20,8-11-19)5-6-15(16,17)18/h12-13,20H,2-11H2,1H3
InChIKeyURBFGTRMDWVFMK-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol

1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol (PubChem CID 167782635) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol
PubChem CID167782635
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol
SMILESCC1CCC(CCN2CCC(O)(CCC(F)(F)F)CC2)O1
InChIInChI=1S/C15H26F3NO2/c1-12-2-3-13(21-12)4-9-19-10-7-14(20,8-11-19)5-6-15(16,17)18/h12-13,20H,2-11H2,1H3
InChIKeyURBFGTRMDWVFMK-UHFFFAOYSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol?
The IUPAC name of 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol (CID 167782635) is 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol is CC1CCC(CCN2CCC(O)(CCC(F)(F)F)CC2)O1.
What is the InChIKey of 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol?
The InChIKey is URBFGTRMDWVFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-12-2-3-13(21-12)4-9-19-10-7-14(20,8-11-19)5-6-15(16,17)18/h12-13,20H,2-11H2,1H3.
What are the key properties of 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol?
1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol has a molecular weight of 309.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyloxolan-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)piperidin-4-ol is sourced from PubChem (CID 167782635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).