1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol

C17H27NO2 — CID 175269442

IUPAC1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol
SMILESC=CCC1(CC=C)CC(O)CC(CC=C)(CC=C)[NH+]1[O-]
InChIInChI=1S/C17H27NO2/c1-5-9-16(10-6-2)13-15(19)14-17(11-7-3,12-8-4)18(16)20/h5-8,15,18-19H,1-4,9-14H2
InChIKeyWACHFAXAWZYZSP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds8

About 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol

1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol (PubChem CID 175269442) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol
PubChem CID175269442
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol
SMILESC=CCC1(CC=C)CC(O)CC(CC=C)(CC=C)[NH+]1[O-]
InChIInChI=1S/C17H27NO2/c1-5-9-16(10-6-2)13-15(19)14-17(11-7-3,12-8-4)18(16)20/h5-8,15,18-19H,1-4,9-14H2
InChIKeyWACHFAXAWZYZSP-UHFFFAOYSA-N
XLogP2.31
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
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-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol?
The IUPAC name of 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol (CID 175269442) is 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol.
What is the SMILES notation for 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol?
The canonical SMILES for 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol is C=CCC1(CC=C)CC(O)CC(CC=C)(CC=C)[NH+]1[O-].
What is the InChIKey of 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol?
The InChIKey is WACHFAXAWZYZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-9-16(10-6-2)13-15(19)14-17(11-7-3,12-8-4)18(16)20/h5-8,15,18-19H,1-4,9-14H2.
What are the key properties of 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol?
1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol has a molecular weight of 277.41 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-2,2,6,6-tetrakis(prop-2-enyl)piperidin-1-ium-4-ol is sourced from PubChem (CID 175269442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).