1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol

C13H21NO — CID 115879734

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol
SMILESOC1CCCN(CC2CC3C=CC2C3)C1
InChIInChI=1S/C13H21NO/c15-13-2-1-5-14(9-13)8-12-7-10-3-4-11(12)6-10/h3-4,10-13,15H,1-2,5-9H2
InChIKeyIGLJZRRHZQUWRJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.66
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol (PubChem CID 115879734) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol
PubChem CID115879734
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol
SMILESOC1CCCN(CC2CC3C=CC2C3)C1
InChIInChI=1S/C13H21NO/c15-13-2-1-5-14(9-13)8-12-7-10-3-4-11(12)6-10/h3-4,10-13,15H,1-2,5-9H2
InChIKeyIGLJZRRHZQUWRJ-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.66
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-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol (CID 115879734) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol is OC1CCCN(CC2CC3C=CC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol?
The InChIKey is IGLJZRRHZQUWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13-2-1-5-14(9-13)8-12-7-10-3-4-11(12)6-10/h3-4,10-13,15H,1-2,5-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol has a molecular weight of 207.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-ol is sourced from PubChem (CID 115879734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).