1,3-dioxan-2-yl(piperidin-1-yl)methanone

C10H17NO3 — CID 67204396

IUPAC1,3-dioxan-2-yl(piperidin-1-yl)methanone
SMILESO=C(C1OCCCO1)N1CCCCC1
InChIInChI=1S/C10H17NO3/c12-9(10-13-7-4-8-14-10)11-5-2-1-3-6-11/h10H,1-8H2
InChIKeyQOPXWPASVFINGS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.76
Rot. Bonds1

About 1,3-dioxan-2-yl(piperidin-1-yl)methanone

1,3-dioxan-2-yl(piperidin-1-yl)methanone (PubChem CID 67204396) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1,3-dioxan-2-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-dioxan-2-yl(piperidin-1-yl)methanone
PubChem CID67204396
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1,3-dioxan-2-yl(piperidin-1-yl)methanone
SMILESO=C(C1OCCCO1)N1CCCCC1
InChIInChI=1S/C10H17NO3/c12-9(10-13-7-4-8-14-10)11-5-2-1-3-6-11/h10H,1-8H2
InChIKeyQOPXWPASVFINGS-UHFFFAOYSA-N
XLogP0.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxan-2-yl(piperidin-1-yl)methanone?
The IUPAC name of 1,3-dioxan-2-yl(piperidin-1-yl)methanone (CID 67204396) is 1,3-dioxan-2-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 1,3-dioxan-2-yl(piperidin-1-yl)methanone?
The canonical SMILES for 1,3-dioxan-2-yl(piperidin-1-yl)methanone is O=C(C1OCCCO1)N1CCCCC1.
What is the InChIKey of 1,3-dioxan-2-yl(piperidin-1-yl)methanone?
The InChIKey is QOPXWPASVFINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(10-13-7-4-8-14-10)11-5-2-1-3-6-11/h10H,1-8H2.
What are the key properties of 1,3-dioxan-2-yl(piperidin-1-yl)methanone?
1,3-dioxan-2-yl(piperidin-1-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxan-2-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 67204396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).