2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

C9H20N2O — CID 63971886

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(CCN)CC1
InChIInChI=1S/C9H20N2O/c1-12-8-9-2-5-11(6-3-9)7-4-10/h9H,2-8,10H2,1H3
InChIKeyZGVGQZCAVKCCJJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds4

About 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 63971886) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID63971886
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(CCN)CC1
InChIInChI=1S/C9H20N2O/c1-12-8-9-2-5-11(6-3-9)7-4-10/h9H,2-8,10H2,1H3
InChIKeyZGVGQZCAVKCCJJ-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (CID 63971886) is 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is ZGVGQZCAVKCCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-8-9-2-5-11(6-3-9)7-4-10/h9H,2-8,10H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
2-[4-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 63971886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).