1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one

C14H17NO2 — CID 55052644

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C14H17NO2/c16-12-5-7-15(8-6-12)10-13-9-11-3-1-2-4-14(11)17-13/h1-4,13H,5-10H2
InChIKeyPCQKMLKRCIRRGO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.65
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one (PubChem CID 55052644) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
PubChem CID55052644
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C14H17NO2/c16-12-5-7-15(8-6-12)10-13-9-11-3-1-2-4-14(11)17-13/h1-4,13H,5-10H2
InChIKeyPCQKMLKRCIRRGO-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one (CID 55052644) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one is O=C1CCN(CC2Cc3ccccc3O2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one?
The InChIKey is PCQKMLKRCIRRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-12-5-7-15(8-6-12)10-13-9-11-3-1-2-4-14(11)17-13/h1-4,13H,5-10H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one is sourced from PubChem (CID 55052644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).