1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one

C13H21NO2 — CID 102648326

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)C1=CCCCO1
InChIInChI=1S/C13H21NO2/c15-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-14-11/h6,11,14H,1-5,7-10H2
InChIKeyKFYKZLPAFNULHU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.17
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 102648326) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID102648326
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)C1=CCCCO1
InChIInChI=1S/C13H21NO2/c15-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-14-11/h6,11,14H,1-5,7-10H2
InChIKeyKFYKZLPAFNULHU-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one (CID 102648326) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one is O=C(CCC1CCCCN1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is KFYKZLPAFNULHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-14-11/h6,11,14H,1-5,7-10H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 223.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 102648326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).