1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone

C13H22N2O2 — CID 62066929

IUPAC1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C13H22N2O2/c1-11(16)15-7-5-12(6-8-15)14-10-13-4-2-3-9-17-13/h3,9,12-14H,2,4-8,10H2,1H3
InChIKeyQJSBYQDJTFJPMG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.28
Rot. Bonds3

About 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone

1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 62066929) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID62066929
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C13H22N2O2/c1-11(16)15-7-5-12(6-8-15)14-10-13-4-2-3-9-17-13/h3,9,12-14H,2,4-8,10H2,1H3
InChIKeyQJSBYQDJTFJPMG-UHFFFAOYSA-N
XLogP1.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone (CID 62066929) is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is QJSBYQDJTFJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(16)15-7-5-12(6-8-15)14-10-13-4-2-3-9-17-13/h3,9,12-14H,2,4-8,10H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone?
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 238.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 62066929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).