9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol

C22H23NO — CID 3502912

IUPAC9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol
SMILESOC1(CC#CCN2CCCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO/c24-22(14-6-9-17-23-15-7-1-8-16-23)20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h2-5,10-13,24H,1,7-8,14-17H2
InChIKeyYAFYSCSWTXSVRJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.78
Rot. Bonds2

About 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol

9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol (PubChem CID 3502912) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol.

Molecular Properties

Compound Name9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol
PubChem CID3502912
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol
SMILESOC1(CC#CCN2CCCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO/c24-22(14-6-9-17-23-15-7-1-8-16-23)20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h2-5,10-13,24H,1,7-8,14-17H2
InChIKeyYAFYSCSWTXSVRJ-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Cycrimine
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Dipheridin
CID 120501
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1-Piperidinepropanol, alpha,alpha-diphenyl-, hydrochloride (1:1)
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Frequently Asked Questions

What is the IUPAC name of 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol?
The IUPAC name of 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol (CID 3502912) is 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol.
What is the SMILES notation for 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol?
The canonical SMILES for 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol is OC1(CC#CCN2CCCCC2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol?
The InChIKey is YAFYSCSWTXSVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c24-22(14-6-9-17-23-15-7-1-8-16-23)20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h2-5,10-13,24H,1,7-8,14-17H2.
What are the key properties of 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol?
9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol has a molecular weight of 317.43 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-piperidin-1-ylbut-2-ynyl)fluoren-9-ol is sourced from PubChem (CID 3502912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).