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

C12H19NO2 — CID 102648328

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c14-11(12-5-1-2-7-15-12)8-10-4-3-6-13-9-10/h5,10,13H,1-4,6-9H2
InChIKeyGAFFCCLSRZKVOL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.64
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone (PubChem CID 102648328) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone
PubChem CID102648328
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c14-11(12-5-1-2-7-15-12)8-10-4-3-6-13-9-10/h5,10,13H,1-4,6-9H2
InChIKeyGAFFCCLSRZKVOL-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.64
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)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone (CID 102648328) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone is O=C(CC1CCCNC1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone?
The InChIKey is GAFFCCLSRZKVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(12-5-1-2-7-15-12)8-10-4-3-6-13-9-10/h5,10,13H,1-4,6-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone has a molecular weight of 209.29 g/mol, XLogP of 1.64, 3 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)-2-piperidin-3-ylethanone is sourced from PubChem (CID 102648328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).