1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine

C23H23N — CID 15818607

IUPAC1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine
SMILESCN1CCC(=CC=C2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C23H23N/c1-24-16-14-18(15-17-24)10-13-23-21-8-4-2-6-19(21)11-12-20-7-3-5-9-22(20)23/h2-13H,14-17H2,1H3
InChIKeyJJMCLAWEPUULBK-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.25
Rot. Bonds1

About 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine

1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine (PubChem CID 15818607) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine.

Molecular Properties

Compound Name1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine
PubChem CID15818607
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine
SMILESCN1CCC(=CC=C2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C23H23N/c1-24-16-14-18(15-17-24)10-13-23-21-8-4-2-6-19(21)11-12-20-7-3-5-9-22(20)23/h2-13H,14-17H2,1H3
InChIKeyJJMCLAWEPUULBK-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine?
The IUPAC name of 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine (CID 15818607) is 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine.
What is the SMILES notation for 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine?
The canonical SMILES for 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine is CN1CCC(=CC=C2c3ccccc3C=Cc3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine?
The InChIKey is JJMCLAWEPUULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-24-16-14-18(15-17-24)10-13-23-21-8-4-2-6-19(21)11-12-20-7-3-5-9-22(20)23/h2-13H,14-17H2,1H3.
What are the key properties of 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine?
1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine has a molecular weight of 313.44 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine is sourced from PubChem (CID 15818607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).