1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine

C21H24N2O — CID 171986168

IUPAC1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine
SMILESCN1CCC(=NOC2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C21H24N2O/c1-23-14-12-18(13-15-23)22-24-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,21H,10-15H2,1H3
InChIKeyRZCOKLMKDOFRRU-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.97
Rot. Bonds2

About 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine

1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine (PubChem CID 171986168) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine.

Molecular Properties

Compound Name1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine
PubChem CID171986168
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine
SMILESCN1CCC(=NOC2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C21H24N2O/c1-23-14-12-18(13-15-23)22-24-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,21H,10-15H2,1H3
InChIKeyRZCOKLMKDOFRRU-UHFFFAOYSA-N
XLogP3.97
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine?
The IUPAC name of 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine (CID 171986168) is 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine.
What is the SMILES notation for 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine?
The canonical SMILES for 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine is CN1CCC(=NOC2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine?
The InChIKey is RZCOKLMKDOFRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23-14-12-18(13-15-23)22-24-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,21H,10-15H2,1H3.
What are the key properties of 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine?
1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine has a molecular weight of 320.44 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidin-4-imine is sourced from PubChem (CID 171986168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).