2-methoxy-N-(piperidin-2-ylmethyl)ethanamine

C9H20N2O — CID 62544316

IUPAC2-methoxy-N-(piperidin-2-ylmethyl)ethanamine
SMILESCOCCNCC1CCCCN1
InChIInChI=1S/C9H20N2O/c1-12-7-6-10-8-9-4-2-3-5-11-9/h9-11H,2-8H2,1H3
InChIKeyYYHRHZUOBFFZTA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.36
Rot. Bonds5

About 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine

2-methoxy-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 62544316) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID62544316
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methoxy-N-(piperidin-2-ylmethyl)ethanamine
SMILESCOCCNCC1CCCCN1
InChIInChI=1S/C9H20N2O/c1-12-7-6-10-8-9-4-2-3-5-11-9/h9-11H,2-8H2,1H3
InChIKeyYYHRHZUOBFFZTA-UHFFFAOYSA-N
XLogP0.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine (CID 62544316) is 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine is COCCNCC1CCCCN1.
What is the InChIKey of 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is YYHRHZUOBFFZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-7-6-10-8-9-4-2-3-5-11-9/h9-11H,2-8H2,1H3.
What are the key properties of 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine?
2-methoxy-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62544316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).