9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride

C21H22ClNO — CID 16431

IUPAC9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride
SMILESOC1(C#CC[NH+]2CCCCC2)c2ccccc2-c2ccccc21.[Cl-]
InChIInChI=1S/C21H21NO.ClH/c23-21(13-8-16-22-14-6-1-7-15-22)19-11-4-2-9-17(19)18-10-3-5-12-20(18)21;/h2-5,9-12,23H,1,6-7,14-16H2;1H
InChIKeyVMBFCFBHJJUJPL-UHFFFAOYSA-N
MW339.87 g/mol
LogP-1.02
Rot. Bonds1

About 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride

9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride (PubChem CID 16431) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride.

Molecular Properties

Compound Name9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride
PubChem CID16431
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC Name9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride
SMILESOC1(C#CC[NH+]2CCCCC2)c2ccccc2-c2ccccc21.[Cl-]
InChIInChI=1S/C21H21NO.ClH/c23-21(13-8-16-22-14-6-1-7-15-22)19-11-4-2-9-17(19)18-10-3-5-12-20(18)21;/h2-5,9-12,23H,1,6-7,14-16H2;1H
InChIKeyVMBFCFBHJJUJPL-UHFFFAOYSA-N
XLogP-1.02
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Azacyclonol
CID 15723
Dipheridin
CID 120501
4-Piperidinemethanol, alpha,alpha-diphenyl-, hydrochloride (1:1)
CID 15722
9-[3-(Pyrrolidin-1-yl)prop-1-yn-1-yl]-9h-fluoren-9-ol
CID 16434
1,1-Diphenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 1858303
1,1-Diphenyl-5-(piperidin-1-yl)pent-2-yn-1-ol
CID 1896293
9-[3-[Benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol
CID 1313163
9-[(1E)-3-(diethylamino)prop-1-en-1-yl]-9H-fluoren-9-ol
CID 5768281
9-(4-Diethylamino-but-2-ynyl)-9H-fluoren-9-ol
CID 11958721
9-[4-(4-Methylpiperazin-1-yl)but-2-ynyl]fluoren-9-ol
CID 1895919
9-(4-Diethylamino-but-1-ynyl)-9H-fluoren-9-ol
CID 1896285
9-(4-Piperidin-1-ylbut-1-ynyl)fluoren-9-ol
CID 1908370

Frequently Asked Questions

What is the IUPAC name of 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride?
The IUPAC name of 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride (CID 16431) is 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride.
What is the SMILES notation for 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride?
The canonical SMILES for 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride is OC1(C#CC[NH+]2CCCCC2)c2ccccc2-c2ccccc21.[Cl-].
What is the InChIKey of 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride?
The InChIKey is VMBFCFBHJJUJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO.ClH/c23-21(13-8-16-22-14-6-1-7-15-22)19-11-4-2-9-17(19)18-10-3-5-12-20(18)21;/h2-5,9-12,23H,1,6-7,14-16H2;1H.
What are the key properties of 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride?
9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride has a molecular weight of 339.87 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-piperidin-1-ium-1-ylprop-1-ynyl)fluoren-9-ol chloride is sourced from PubChem (CID 16431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).