1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine

C11H22N2O — CID 63846947

IUPAC1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-9(12)10-3-2-5-13(7-10)11-4-6-14-8-11/h9-11H,2-8,12H2,1H3
InChIKeyLYWSLKLWLYBPIX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds2

About 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine

1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine (PubChem CID 63846947) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
PubChem CID63846947
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-9(12)10-3-2-5-13(7-10)11-4-6-14-8-11/h9-11H,2-8,12H2,1H3
InChIKeyLYWSLKLWLYBPIX-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine (CID 63846947) is 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine is CC(N)C1CCCN(C2CCOC2)C1.
What is the InChIKey of 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine?
The InChIKey is LYWSLKLWLYBPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(12)10-3-2-5-13(7-10)11-4-6-14-8-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine?
1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63846947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).