1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine

C21H23N — CID 13069099

IUPAC1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine
SMILESc1ccc2c(c1)C1CC2(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C21H23N/c1-6-12-22(13-7-1)15-21-14-18(16-8-2-4-10-19(16)21)17-9-3-5-11-20(17)21/h2-5,8-11,18H,1,6-7,12-15H2
InChIKeyVNEJVZBVWJYDCF-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.31
Rot. Bonds2

About 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine

1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine (PubChem CID 13069099) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine.

Molecular Properties

Compound Name1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine
PubChem CID13069099
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine
SMILESc1ccc2c(c1)C1CC2(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C21H23N/c1-6-12-22(13-7-1)15-21-14-18(16-8-2-4-10-19(16)21)17-9-3-5-11-20(17)21/h2-5,8-11,18H,1,6-7,12-15H2
InChIKeyVNEJVZBVWJYDCF-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine?
The IUPAC name of 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine (CID 13069099) is 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine.
What is the SMILES notation for 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine?
The canonical SMILES for 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine is c1ccc2c(c1)C1CC2(CN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine?
The InChIKey is VNEJVZBVWJYDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-6-12-22(13-7-1)15-21-14-18(16-8-2-4-10-19(16)21)17-9-3-5-11-20(17)21/h2-5,8-11,18H,1,6-7,12-15H2.
What are the key properties of 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine?
1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine has a molecular weight of 289.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine is sourced from PubChem (CID 13069099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).