1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine

C12H24N2O2 — CID 63596930

IUPAC1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC2CCOCO2)CC1
InChIInChI=1S/C12H24N2O2/c1-10(13)11-2-5-14(6-3-11)8-12-4-7-15-9-16-12/h10-12H,2-9,13H2,1H3
InChIKeyQHZBJPNQTLXCCA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.81
Rot. Bonds3

About 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine

1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine (PubChem CID 63596930) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine
PubChem CID63596930
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC2CCOCO2)CC1
InChIInChI=1S/C12H24N2O2/c1-10(13)11-2-5-14(6-3-11)8-12-4-7-15-9-16-12/h10-12H,2-9,13H2,1H3
InChIKeyQHZBJPNQTLXCCA-UHFFFAOYSA-N
XLogP0.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine (CID 63596930) is 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine is CC(N)C1CCN(CC2CCOCO2)CC1.
What is the InChIKey of 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine?
The InChIKey is QHZBJPNQTLXCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(13)11-2-5-14(6-3-11)8-12-4-7-15-9-16-12/h10-12H,2-9,13H2,1H3.
What are the key properties of 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine?
1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine has a molecular weight of 228.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63596930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).