3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol

C17H24F2N2O3 — CID 166368563

IUPAC3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol
SMILESCC(F)(F)COC1CCN(c2cccc(C3(O)CCOC3)n2)CC1
InChIInChI=1S/C17H24F2N2O3/c1-16(18,19)11-24-13-5-8-21(9-6-13)15-4-2-3-14(20-15)17(22)7-10-23-12-17/h2-4,13,22H,5-12H2,1H3
InChIKeyJBIFBYYKEPACCC-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.33
Rot. Bonds5

About 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol

3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol (PubChem CID 166368563) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol
PubChem CID166368563
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol
SMILESCC(F)(F)COC1CCN(c2cccc(C3(O)CCOC3)n2)CC1
InChIInChI=1S/C17H24F2N2O3/c1-16(18,19)11-24-13-5-8-21(9-6-13)15-4-2-3-14(20-15)17(22)7-10-23-12-17/h2-4,13,22H,5-12H2,1H3
InChIKeyJBIFBYYKEPACCC-UHFFFAOYSA-N
XLogP2.33
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol?
The IUPAC name of 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol (CID 166368563) is 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol.
What is the SMILES notation for 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol?
The canonical SMILES for 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol is CC(F)(F)COC1CCN(c2cccc(C3(O)CCOC3)n2)CC1.
What is the InChIKey of 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol?
The InChIKey is JBIFBYYKEPACCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-16(18,19)11-24-13-5-8-21(9-6-13)15-4-2-3-14(20-15)17(22)7-10-23-12-17/h2-4,13,22H,5-12H2,1H3.
What are the key properties of 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol?
3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol has a molecular weight of 342.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2,2-difluoropropoxy)piperidin-1-yl]-2-pyridinyl]oxolan-3-ol is sourced from PubChem (CID 166368563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).