[1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine

C12H24N2O — CID 145297009

IUPAC[1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine
SMILESCOC/C=C/CCN1CCC(CN)CC1
InChIInChI=1S/C12H24N2O/c1-15-10-4-2-3-7-14-8-5-12(11-13)6-9-14/h2,4,12H,3,5-11,13H2,1H3/b4-2+
InChIKeyVSPAIJOMGGSVJW-DUXPYHPUSA-N
MW212.34 g/mol
LogP1.25
Rot. Bonds6

About [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine

[1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine (PubChem CID 145297009) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine
PubChem CID145297009
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine
SMILESCOC/C=C/CCN1CCC(CN)CC1
InChIInChI=1S/C12H24N2O/c1-15-10-4-2-3-7-14-8-5-12(11-13)6-9-14/h2,4,12H,3,5-11,13H2,1H3/b4-2+
InChIKeyVSPAIJOMGGSVJW-DUXPYHPUSA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine (CID 145297009) is [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine is COC/C=C/CCN1CCC(CN)CC1.
What is the InChIKey of [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine?
The InChIKey is VSPAIJOMGGSVJW-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H24N2O/c1-15-10-4-2-3-7-14-8-5-12(11-13)6-9-14/h2,4,12H,3,5-11,13H2,1H3/b4-2+.
What are the key properties of [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine?
[1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-5-methoxypent-3-enyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 145297009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).