4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine

C22H25N — CID 170176076

IUPAC4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine
SMILESCc1ccc2c(c1)CCc1cccc(C)c1C2=C1CCNCC1
InChIInChI=1S/C22H25N/c1-15-6-9-20-19(14-15)8-7-17-5-3-4-16(2)21(17)22(20)18-10-12-23-13-11-18/h3-6,9,14,23H,7-8,10-13H2,1-2H3
InChIKeyRZIDQNLINFPLEP-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.59
Rot. Bonds

About 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine

4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine (PubChem CID 170176076) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine.

Molecular Properties

Compound Name4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine
PubChem CID170176076
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine
SMILESCc1ccc2c(c1)CCc1cccc(C)c1C2=C1CCNCC1
InChIInChI=1S/C22H25N/c1-15-6-9-20-19(14-15)8-7-17-5-3-4-16(2)21(17)22(20)18-10-12-23-13-11-18/h3-6,9,14,23H,7-8,10-13H2,1-2H3
InChIKeyRZIDQNLINFPLEP-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine?
The IUPAC name of 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine (CID 170176076) is 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine.
What is the SMILES notation for 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine?
The canonical SMILES for 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine is Cc1ccc2c(c1)CCc1cccc(C)c1C2=C1CCNCC1.
What is the InChIKey of 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine?
The InChIKey is RZIDQNLINFPLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-15-6-9-20-19(14-15)8-7-17-5-3-4-16(2)21(17)22(20)18-10-12-23-13-11-18/h3-6,9,14,23H,7-8,10-13H2,1-2H3.
What are the key properties of 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine?
4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine has a molecular weight of 303.45 g/mol, XLogP of 4.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenylidene)piperidine is sourced from PubChem (CID 170176076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).