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

C11H20NO+ — CID 57064337

IUPAC1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol
SMILESC=CC[N+]1(CC=C)CCC(O)CC1
InChIInChI=1S/C11H20NO/c1-3-7-12(8-4-2)9-5-11(13)6-10-12/h3-4,11,13H,1-2,5-10H2/q+1
InChIKeyJDAWPKJOEUGSPB-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.33
Rot. Bonds4

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

1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol (PubChem CID 57064337) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol
PubChem CID57064337
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol
SMILESC=CC[N+]1(CC=C)CCC(O)CC1
InChIInChI=1S/C11H20NO/c1-3-7-12(8-4-2)9-5-11(13)6-10-12/h3-4,11,13H,1-2,5-10H2/q+1
InChIKeyJDAWPKJOEUGSPB-UHFFFAOYSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol 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 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol?
The IUPAC name of 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol (CID 57064337) is 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol.
What is the SMILES notation for 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol?
The canonical SMILES for 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol is C=CC[N+]1(CC=C)CCC(O)CC1.
What is the InChIKey of 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol?
The InChIKey is JDAWPKJOEUGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO/c1-3-7-12(8-4-2)9-5-11(13)6-10-12/h3-4,11,13H,1-2,5-10H2/q+1.
What are the key properties of 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol?
1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol has a molecular weight of 182.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol is sourced from PubChem (CID 57064337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).