3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone

C11H17NO3 — CID 111536589

IUPAC3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1=CCCCO1)N1CCCC(O)C1
InChIInChI=1S/C11H17NO3/c13-9-4-3-6-12(8-9)11(14)10-5-1-2-7-15-10/h5,9,13H,1-4,6-8H2
InChIKeyGLJVWRLTWJHKHB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.66
Rot. Bonds1

About 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111536589) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111536589
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1=CCCCO1)N1CCCC(O)C1
InChIInChI=1S/C11H17NO3/c13-9-4-3-6-12(8-9)11(14)10-5-1-2-7-15-10/h5,9,13H,1-4,6-8H2
InChIKeyGLJVWRLTWJHKHB-UHFFFAOYSA-N
XLogP0.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone (CID 111536589) is 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone is O=C(C1=CCCCO1)N1CCCC(O)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is GLJVWRLTWJHKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-4-3-6-12(8-9)11(14)10-5-1-2-7-15-10/h5,9,13H,1-4,6-8H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 211.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111536589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).