1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine

C18H19N — CID 91294515

IUPAC1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine
SMILESC1=C2C=c3ccccc3=C(C=C1N1CCCCC1)C2
InChIInChI=1S/C18H19N/c1-4-8-19(9-5-1)17-12-14-10-15-6-2-3-7-18(15)16(11-14)13-17/h2-3,6-7,10,12-13H,1,4-5,8-9,11H2
InChIKeyUTEMBKHDZMLROH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.33
Rot. Bonds1

About 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine

1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine (PubChem CID 91294515) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine.

Molecular Properties

Compound Name1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine
PubChem CID91294515
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine
SMILESC1=C2C=c3ccccc3=C(C=C1N1CCCCC1)C2
InChIInChI=1S/C18H19N/c1-4-8-19(9-5-1)17-12-14-10-15-6-2-3-7-18(15)16(11-14)13-17/h2-3,6-7,10,12-13H,1,4-5,8-9,11H2
InChIKeyUTEMBKHDZMLROH-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine?
The IUPAC name of 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine (CID 91294515) is 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine.
What is the SMILES notation for 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine?
The canonical SMILES for 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine is C1=C2C=c3ccccc3=C(C=C1N1CCCCC1)C2.
What is the InChIKey of 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine?
The InChIKey is UTEMBKHDZMLROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-4-8-19(9-5-1)17-12-14-10-15-6-2-3-7-18(15)16(11-14)13-17/h2-3,6-7,10,12-13H,1,4-5,8-9,11H2.
What are the key properties of 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine?
1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine has a molecular weight of 249.36 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine is sourced from PubChem (CID 91294515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).