6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

C24H30N2 — CID 20657872

IUPAC6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)CCc1c(C)c(C)cc(C)c1C2=C1CCN(C)CC1
InChIInChI=1S/C24H30N2/c1-15-12-20-6-7-21-18(4)16(2)13-17(3)22(21)23(24(20)25-14-15)19-8-10-26(5)11-9-19/h12-14H,6-11H2,1-5H3
InChIKeyQAKLZEZDVOFWMN-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.94
Rot. Bonds

About 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (PubChem CID 20657872) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
PubChem CID20657872
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)CCc1c(C)c(C)cc(C)c1C2=C1CCN(C)CC1
InChIInChI=1S/C24H30N2/c1-15-12-20-6-7-21-18(4)16(2)13-17(3)22(21)23(24(20)25-14-15)19-8-10-26(5)11-9-19/h12-14H,6-11H2,1-5H3
InChIKeyQAKLZEZDVOFWMN-UHFFFAOYSA-N
XLogP4.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The IUPAC name of 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (CID 20657872) is 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The canonical SMILES for 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is Cc1cnc2c(c1)CCc1c(C)c(C)cc(C)c1C2=C1CCN(C)CC1.
What is the InChIKey of 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The InChIKey is QAKLZEZDVOFWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-15-12-20-6-7-21-18(4)16(2)13-17(3)22(21)23(24(20)25-14-15)19-8-10-26(5)11-9-19/h12-14H,6-11H2,1-5H3.
What are the key properties of 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene has a molecular weight of 346.52 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12,13,15-tetramethyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 20657872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).