2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

C9H20N2O — CID 66564433

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(CCN)C1
InChIInChI=1S/C9H20N2O/c1-12-8-9-3-2-5-11(7-9)6-4-10/h9H,2-8,10H2,1H3
InChIKeyOIPHPKRFFSSADF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds4

About 2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 66564433) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID66564433
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(CCN)C1
InChIInChI=1S/C9H20N2O/c1-12-8-9-3-2-5-11(7-9)6-4-10/h9H,2-8,10H2,1H3
InChIKeyOIPHPKRFFSSADF-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-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (CID 66564433) is 2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCCN(CCN)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is OIPHPKRFFSSADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-8-9-3-2-5-11(7-9)6-4-10/h9H,2-8,10H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
2-[3-(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-[3-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 66564433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).