2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine

C12H24N2O — CID 62591672

IUPAC2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine
SMILESC=CCN1CCCC(CNCCOC)C1
InChIInChI=1S/C12H24N2O/c1-3-7-14-8-4-5-12(11-14)10-13-6-9-15-2/h3,12-13H,1,4-11H2,2H3
InChIKeyHISPLYJPABLTLL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.12
Rot. Bonds7

About 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine

2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine (PubChem CID 62591672) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine
PubChem CID62591672
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine
SMILESC=CCN1CCCC(CNCCOC)C1
InChIInChI=1S/C12H24N2O/c1-3-7-14-8-4-5-12(11-14)10-13-6-9-15-2/h3,12-13H,1,4-11H2,2H3
InChIKeyHISPLYJPABLTLL-UHFFFAOYSA-N
XLogP1.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine (CID 62591672) is 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine is C=CCN1CCCC(CNCCOC)C1.
What is the InChIKey of 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is HISPLYJPABLTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-7-14-8-4-5-12(11-14)10-13-6-9-15-2/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine?
2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-prop-2-enylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 62591672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).