(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone

C11H18N2O3 — CID 79993491

IUPAC(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone
SMILESCC1CC(N)CN(C(=O)C2=COCCO2)C1
InChIInChI=1S/C11H18N2O3/c1-8-4-9(12)6-13(5-8)11(14)10-7-15-2-3-16-10/h7-9H,2-6,12H2,1H3
InChIKeyQLLUXCUMJKTVOX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.07
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone

(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone (PubChem CID 79993491) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone
PubChem CID79993491
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone
SMILESCC1CC(N)CN(C(=O)C2=COCCO2)C1
InChIInChI=1S/C11H18N2O3/c1-8-4-9(12)6-13(5-8)11(14)10-7-15-2-3-16-10/h7-9H,2-6,12H2,1H3
InChIKeyQLLUXCUMJKTVOX-UHFFFAOYSA-N
XLogP0.07
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone (CID 79993491) is (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone is CC1CC(N)CN(C(=O)C2=COCCO2)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The InChIKey is QLLUXCUMJKTVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-4-9(12)6-13(5-8)11(14)10-7-15-2-3-16-10/h7-9H,2-6,12H2,1H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone has a molecular weight of 226.28 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone is sourced from PubChem (CID 79993491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).