2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride

C17H26ClNO — CID 90485815

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride
SMILESCC(O)(C#CCN1CCCCC1)C1CC2C=CC1C2.Cl
InChIInChI=1S/C17H25NO.ClH/c1-17(19,16-13-14-6-7-15(16)12-14)8-5-11-18-9-3-2-4-10-18;/h6-7,14-16,19H,2-4,9-13H2,1H3;1H
InChIKeyINLBJYOUTZWTED-UHFFFAOYSA-N
MW295.85 g/mol
LogP2.86
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride

2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride (PubChem CID 90485815) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride
PubChem CID90485815
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride
SMILESCC(O)(C#CCN1CCCCC1)C1CC2C=CC1C2.Cl
InChIInChI=1S/C17H25NO.ClH/c1-17(19,16-13-14-6-7-15(16)12-14)8-5-11-18-9-3-2-4-10-18;/h6-7,14-16,19H,2-4,9-13H2,1H3;1H
InChIKeyINLBJYOUTZWTED-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride (CID 90485815) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride is CC(O)(C#CCN1CCCCC1)C1CC2C=CC1C2.Cl.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride?
The InChIKey is INLBJYOUTZWTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c1-17(19,16-13-14-6-7-15(16)12-14)8-5-11-18-9-3-2-4-10-18;/h6-7,14-16,19H,2-4,9-13H2,1H3;1H.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride?
2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-5-piperidin-1-ylpent-3-yn-2-ol;hydrochloride is sourced from PubChem (CID 90485815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).