1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C16H20F4N2O3 — CID 91774094

IUPAC1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C16H20F4N2O3/c17-15(18)16(19,20)11-24-10-14(23)22-6-3-13(4-7-22)25-9-12-2-1-5-21-8-12/h1-2,5,8,13,15H,3-4,6-7,9-11H2
InChIKeyLOVWQHQRZCSUSQ-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.51
Rot. Bonds8

About 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 91774094) has the molecular formula C16H20F4N2O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID91774094
Molecular FormulaC16H20F4N2O3
Molecular Weight364.34 g/mol
Exact Mass364.14
IUPAC Name1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C16H20F4N2O3/c17-15(18)16(19,20)11-24-10-14(23)22-6-3-13(4-7-22)25-9-12-2-1-5-21-8-12/h1-2,5,8,13,15H,3-4,6-7,9-11H2
InChIKeyLOVWQHQRZCSUSQ-UHFFFAOYSA-N
XLogP2.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 91774094) is 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)F)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is LOVWQHQRZCSUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O3/c17-15(18)16(19,20)11-24-10-14(23)22-6-3-13(4-7-22)25-9-12-2-1-5-21-8-12/h1-2,5,8,13,15H,3-4,6-7,9-11H2.
What are the key properties of 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 364.34 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 91774094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).