1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine

C11H22N2O2 — CID 61024626

IUPAC1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(CC2COCCO2)CC1
InChIInChI=1S/C11H22N2O2/c1-12-10-2-4-13(5-3-10)8-11-9-14-6-7-15-11/h10-12H,2-9H2,1H3
InChIKeyXTGQGYKKVTVTDG-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.09
Rot. Bonds3

About 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine

1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine (PubChem CID 61024626) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine
PubChem CID61024626
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(CC2COCCO2)CC1
InChIInChI=1S/C11H22N2O2/c1-12-10-2-4-13(5-3-10)8-11-9-14-6-7-15-11/h10-12H,2-9H2,1H3
InChIKeyXTGQGYKKVTVTDG-UHFFFAOYSA-N
XLogP0.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine (CID 61024626) is 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine is CNC1CCN(CC2COCCO2)CC1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine?
The InChIKey is XTGQGYKKVTVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-10-2-4-13(5-3-10)8-11-9-14-6-7-15-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine?
1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine has a molecular weight of 214.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 61024626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).