1,2-bis(prop-2-enyl)piperidin-4-ol

C11H19NO — CID 156701736

IUPAC1,2-bis(prop-2-enyl)piperidin-4-ol
SMILESC=CCC1CC(O)CCN1CC=C
InChIInChI=1S/C11H19NO/c1-3-5-10-9-11(13)6-8-12(10)7-4-2/h3-4,10-11,13H,1-2,5-9H2
InChIKeyRXQMTTKMFFWVBA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.57
Rot. Bonds4

About 1,2-bis(prop-2-enyl)piperidin-4-ol

1,2-bis(prop-2-enyl)piperidin-4-ol (PubChem CID 156701736) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)piperidin-4-ol
PubChem CID156701736
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,2-bis(prop-2-enyl)piperidin-4-ol
SMILESC=CCC1CC(O)CCN1CC=C
InChIInChI=1S/C11H19NO/c1-3-5-10-9-11(13)6-8-12(10)7-4-2/h3-4,10-11,13H,1-2,5-9H2
InChIKeyRXQMTTKMFFWVBA-UHFFFAOYSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.57
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-bis(prop-2-enyl)piperidin-4-ol?
The IUPAC name of 1,2-bis(prop-2-enyl)piperidin-4-ol (CID 156701736) is 1,2-bis(prop-2-enyl)piperidin-4-ol.
What is the SMILES notation for 1,2-bis(prop-2-enyl)piperidin-4-ol?
The canonical SMILES for 1,2-bis(prop-2-enyl)piperidin-4-ol is C=CCC1CC(O)CCN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)piperidin-4-ol?
The InChIKey is RXQMTTKMFFWVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-10-9-11(13)6-8-12(10)7-4-2/h3-4,10-11,13H,1-2,5-9H2.
What are the key properties of 1,2-bis(prop-2-enyl)piperidin-4-ol?
1,2-bis(prop-2-enyl)piperidin-4-ol has a molecular weight of 181.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)piperidin-4-ol is sourced from PubChem (CID 156701736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).