1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol

C15H25N2O2+ — CID 21152329

IUPAC1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol
SMILESOC1CCN(/C=C/C=C/C=[N+]2CCC(O)CC2)CC1
InChIInChI=1S/C15H25N2O2/c18-14-4-10-16(11-5-14)8-2-1-3-9-17-12-6-15(19)7-13-17/h1-3,8-9,14-15,18-19H,4-7,10-13H2/q+1
InChIKeyANMFUXBJBHCQOF-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.75
Rot. Bonds3

About 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol

1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol (PubChem CID 21152329) has the molecular formula C15H25N2O2+ and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol
PubChem CID21152329
Molecular FormulaC15H25N2O2+
Molecular Weight265.38 g/mol
Exact Mass265.19
IUPAC Name1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol
SMILESOC1CCN(/C=C/C=C/C=[N+]2CCC(O)CC2)CC1
InChIInChI=1S/C15H25N2O2/c18-14-4-10-16(11-5-14)8-2-1-3-9-17-12-6-15(19)7-13-17/h1-3,8-9,14-15,18-19H,4-7,10-13H2/q+1
InChIKeyANMFUXBJBHCQOF-UHFFFAOYSA-N
XLogP0.75
TPSA46.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol?
The IUPAC name of 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol (CID 21152329) is 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol?
The canonical SMILES for 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol is OC1CCN(/C=C/C=C/C=[N+]2CCC(O)CC2)CC1.
What is the InChIKey of 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol?
The InChIKey is ANMFUXBJBHCQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O2/c18-14-4-10-16(11-5-14)8-2-1-3-9-17-12-6-15(19)7-13-17/h1-3,8-9,14-15,18-19H,4-7,10-13H2/q+1.
What are the key properties of 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol?
1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol has a molecular weight of 265.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-5-(4-hydroxypiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidin-4-ol is sourced from PubChem (CID 21152329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).