1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol

C11H21NO — CID 130748526

IUPAC1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol
SMILESC=CC1CCCCN1CC(C)(C)O
InChIInChI=1S/C11H21NO/c1-4-10-7-5-6-8-12(10)9-11(2,3)13/h4,10,13H,1,5-9H2,2-3H3
InChIKeyGFCAREBQHIFZMU-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol

1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol (PubChem CID 130748526) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol
PubChem CID130748526
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol
SMILESC=CC1CCCCN1CC(C)(C)O
InChIInChI=1S/C11H21NO/c1-4-10-7-5-6-8-12(10)9-11(2,3)13/h4,10,13H,1,5-9H2,2-3H3
InChIKeyGFCAREBQHIFZMU-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol (CID 130748526) is 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol is C=CC1CCCCN1CC(C)(C)O.
What is the InChIKey of 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol?
The InChIKey is GFCAREBQHIFZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10-7-5-6-8-12(10)9-11(2,3)13/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol?
1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol has a molecular weight of 183.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylpiperidin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 130748526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).