[1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine

C11H22N2O — CID 112622678

IUPAC[1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine
SMILESC/C=C/CN1CCC(OC)CC1CN
InChIInChI=1S/C11H22N2O/c1-3-4-6-13-7-5-11(14-2)8-10(13)9-12/h3-4,10-11H,5-9,12H2,1-2H3/b4-3+
InChIKeyXBFGVGLWYNSYHG-ONEGZZNKSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds4

About [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine

[1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622678) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622678
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine
SMILESC/C=C/CN1CCC(OC)CC1CN
InChIInChI=1S/C11H22N2O/c1-3-4-6-13-7-5-11(14-2)8-10(13)9-12/h3-4,10-11H,5-9,12H2,1-2H3/b4-3+
InChIKeyXBFGVGLWYNSYHG-ONEGZZNKSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine 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 [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine (CID 112622678) is [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine is C/C=C/CN1CCC(OC)CC1CN.
What is the InChIKey of [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is XBFGVGLWYNSYHG-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-6-13-7-5-11(14-2)8-10(13)9-12/h3-4,10-11H,5-9,12H2,1-2H3/b4-3+.
What are the key properties of [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-but-2-enyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).