1-(furan-2-ylmethyl)piperidin-4-one

C10H13NO2 — CID 6421276

IUPAC1-(furan-2-ylmethyl)piperidin-4-one
SMILESO=C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C10H13NO2/c12-9-3-5-11(6-4-9)8-10-2-1-7-13-10/h1-2,7H,3-6,8H2
InChIKeyHPGJGAKKRDVUJA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.44
Rot. Bonds2

About 1-(furan-2-ylmethyl)piperidin-4-one

1-(furan-2-ylmethyl)piperidin-4-one (PubChem CID 6421276) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)piperidin-4-one
PubChem CID6421276
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(furan-2-ylmethyl)piperidin-4-one
SMILESO=C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C10H13NO2/c12-9-3-5-11(6-4-9)8-10-2-1-7-13-10/h1-2,7H,3-6,8H2
InChIKeyHPGJGAKKRDVUJA-UHFFFAOYSA-N
XLogP1.44
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)piperidin-4-one?
The IUPAC name of 1-(furan-2-ylmethyl)piperidin-4-one (CID 6421276) is 1-(furan-2-ylmethyl)piperidin-4-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)piperidin-4-one?
The canonical SMILES for 1-(furan-2-ylmethyl)piperidin-4-one is O=C1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)piperidin-4-one?
The InChIKey is HPGJGAKKRDVUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-9-3-5-11(6-4-9)8-10-2-1-7-13-10/h1-2,7H,3-6,8H2.
What are the key properties of 1-(furan-2-ylmethyl)piperidin-4-one?
1-(furan-2-ylmethyl)piperidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)piperidin-4-one is sourced from PubChem (CID 6421276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).