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

C13H21NO3 — CID 102648357

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)C1=CCCCO1
InChIInChI=1S/C13H21NO3/c15-12(13-3-1-2-9-17-13)6-10-16-11-4-7-14-8-5-11/h3,11,14H,1-2,4-10H2
InChIKeySZGUXGAIVIEDJN-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.41
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 102648357) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID102648357
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)C1=CCCCO1
InChIInChI=1S/C13H21NO3/c15-12(13-3-1-2-9-17-13)6-10-16-11-4-7-14-8-5-11/h3,11,14H,1-2,4-10H2
InChIKeySZGUXGAIVIEDJN-UHFFFAOYSA-N
XLogP1.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one (CID 102648357) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is SZGUXGAIVIEDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(13-3-1-2-9-17-13)6-10-16-11-4-7-14-8-5-11/h3,11,14H,1-2,4-10H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 239.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 102648357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).