1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine

C18H30N2 — CID 2845448

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine
SMILESC1=CC2CC1CC2CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H30N2/c1-2-8-20(9-3-1)18-6-10-19(11-7-18)14-17-13-15-4-5-16(17)12-15/h4-5,15-18H,1-3,6-14H2
InChIKeyJWUYNPYFTDFITM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.15
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine (PubChem CID 2845448) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine
PubChem CID2845448
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine
SMILESC1=CC2CC1CC2CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H30N2/c1-2-8-20(9-3-1)18-6-10-19(11-7-18)14-17-13-15-4-5-16(17)12-15/h4-5,15-18H,1-3,6-14H2
InChIKeyJWUYNPYFTDFITM-UHFFFAOYSA-N
XLogP3.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
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)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine (CID 2845448) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine is C1=CC2CC1CC2CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine?
The InChIKey is JWUYNPYFTDFITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-8-20(9-3-1)18-6-10-19(11-7-18)14-17-13-15-4-5-16(17)12-15/h4-5,15-18H,1-3,6-14H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-piperidin-1-ylpiperidine has a molecular weight of 274.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 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)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 2845448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).