1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

C21H29NO — CID 5284520

IUPAC1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(c1ccccc1)C12C=CC(CC1)C2
InChIInChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,13-16-22-14-5-2-6-15-22)20-11-9-18(17-20)10-12-20/h1,3-4,7-9,11,18,23H,2,5-6,10,12-17H2
InChIKeyDDKIYQCGJUBFIE-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.11
Rot. Bonds5

About 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 5284520) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
PubChem CID5284520
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(c1ccccc1)C12C=CC(CC1)C2
InChIInChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,13-16-22-14-5-2-6-15-22)20-11-9-18(17-20)10-12-20/h1,3-4,7-9,11,18,23H,2,5-6,10,12-17H2
InChIKeyDDKIYQCGJUBFIE-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
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-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol (CID 5284520) is 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol is OC(CCN1CCCCC1)(c1ccccc1)C12C=CC(CC1)C2.
What is the InChIKey of 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is DDKIYQCGJUBFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,13-16-22-14-5-2-6-15-22)20-11-9-18(17-20)10-12-20/h1,3-4,7-9,11,18,23H,2,5-6,10,12-17H2.
What are the key properties of 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 311.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 5284520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).