1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol

C13H24N2O — CID 145044372

IUPAC1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESC=C/C(=C\C)CN1CCC(O)(CNC)CC1
InChIInChI=1S/C13H24N2O/c1-4-12(5-2)10-15-8-6-13(16,7-9-15)11-14-3/h4-5,14,16H,1,6-11H2,2-3H3/b12-5+
InChIKeyGDJGIPKDJQEUES-LFYBBSHMSA-N
MW224.35 g/mol
LogP1.16
Rot. Bonds5

About 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol

1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 145044372) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
PubChem CID145044372
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESC=C/C(=C\C)CN1CCC(O)(CNC)CC1
InChIInChI=1S/C13H24N2O/c1-4-12(5-2)10-15-8-6-13(16,7-9-15)11-14-3/h4-5,14,16H,1,6-11H2,2-3H3/b12-5+
InChIKeyGDJGIPKDJQEUES-LFYBBSHMSA-N
XLogP1.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol (CID 145044372) is 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol is C=C/C(=C\C)CN1CCC(O)(CNC)CC1.
What is the InChIKey of 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is GDJGIPKDJQEUES-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-12(5-2)10-15-8-6-13(16,7-9-15)11-14-3/h4-5,14,16H,1,6-11H2,2-3H3/b12-5+.
What are the key properties of 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol?
1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol has a molecular weight of 224.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 145044372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).