2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine

C20H21N — CID 70396745

IUPAC2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine
SMILESC1=CC2C=Cc3ccccc3C(=C3CCCCN3)C2C=C1
InChIInChI=1S/C20H21N/c1-3-9-17-15(7-1)12-13-16-8-2-4-10-18(16)20(17)19-11-5-6-14-21-19/h1-4,7-10,12-13,15,17,21H,5-6,11,14H2
InChIKeyFXAPMKHPRIDFHI-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.56
Rot. Bonds

About 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine

2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine (PubChem CID 70396745) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine.

Molecular Properties

Compound Name2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine
PubChem CID70396745
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine
SMILESC1=CC2C=Cc3ccccc3C(=C3CCCCN3)C2C=C1
InChIInChI=1S/C20H21N/c1-3-9-17-15(7-1)12-13-16-8-2-4-10-18(16)20(17)19-11-5-6-14-21-19/h1-4,7-10,12-13,15,17,21H,5-6,11,14H2
InChIKeyFXAPMKHPRIDFHI-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine?
The IUPAC name of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine (CID 70396745) is 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine.
What is the SMILES notation for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine?
The canonical SMILES for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine is C1=CC2C=Cc3ccccc3C(=C3CCCCN3)C2C=C1.
What is the InChIKey of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine?
The InChIKey is FXAPMKHPRIDFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-3-9-17-15(7-1)12-13-16-8-2-4-10-18(16)20(17)19-11-5-6-14-21-19/h1-4,7-10,12-13,15,17,21H,5-6,11,14H2.
What are the key properties of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine?
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine has a molecular weight of 275.40 g/mol, XLogP of 4.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine is sourced from PubChem (CID 70396745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).