2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C12H20N2O2 — CID 102648430

IUPAC2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNC1CCN(CC(=O)C2=CCCCO2)CC1
InChIInChI=1S/C12H20N2O2/c13-10-4-6-14(7-5-10)9-11(15)12-3-1-2-8-16-12/h3,10H,1-2,4-9,13H2
InChIKeyCEYCBMXMAKEOJK-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.67
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648430) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648430
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNC1CCN(CC(=O)C2=CCCCO2)CC1
InChIInChI=1S/C12H20N2O2/c13-10-4-6-14(7-5-10)9-11(15)12-3-1-2-8-16-12/h3,10H,1-2,4-9,13H2
InChIKeyCEYCBMXMAKEOJK-UHFFFAOYSA-N
XLogP0.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648430) is 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is NC1CCN(CC(=O)C2=CCCCO2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is CEYCBMXMAKEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-10-4-6-14(7-5-10)9-11(15)12-3-1-2-8-16-12/h3,10H,1-2,4-9,13H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).