1-(oxan-4-yl)piperidin-4-one

C10H17NO2 — CID 43610249

IUPAC1-(oxan-4-yl)piperidin-4-one
SMILESO=C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C10H17NO2/c12-10-1-5-11(6-2-10)9-3-7-13-8-4-9/h9H,1-8H2
InChIKeyUMQOTTXMYREDMK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.83
Rot. Bonds1

About 1-(oxan-4-yl)piperidin-4-one

1-(oxan-4-yl)piperidin-4-one (PubChem CID 43610249) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(oxan-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(oxan-4-yl)piperidin-4-one
PubChem CID43610249
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(oxan-4-yl)piperidin-4-one
SMILESO=C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C10H17NO2/c12-10-1-5-11(6-2-10)9-3-7-13-8-4-9/h9H,1-8H2
InChIKeyUMQOTTXMYREDMK-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)piperidin-4-one?
The IUPAC name of 1-(oxan-4-yl)piperidin-4-one (CID 43610249) is 1-(oxan-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(oxan-4-yl)piperidin-4-one?
The canonical SMILES for 1-(oxan-4-yl)piperidin-4-one is O=C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)piperidin-4-one?
The InChIKey is UMQOTTXMYREDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10-1-5-11(6-2-10)9-3-7-13-8-4-9/h9H,1-8H2.
What are the key properties of 1-(oxan-4-yl)piperidin-4-one?
1-(oxan-4-yl)piperidin-4-one has a molecular weight of 183.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)piperidin-4-one is sourced from PubChem (CID 43610249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).