7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene

C20H22N2 — CID 88614597

IUPAC7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene
SMILESCN1CCC(=C2C=CNC3=C2CC=c2ccccc2=C3)CC1
InChIInChI=1S/C20H22N2/c1-22-12-9-16(10-13-22)18-8-11-21-20-14-17-5-3-2-4-15(17)6-7-19(18)20/h2-6,8,11,14,21H,7,9-10,12-13H2,1H3
InChIKeyCKBAKVIIKSRNED-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.04
Rot. Bonds

About 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene

7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene (PubChem CID 88614597) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene.

Molecular Properties

Compound Name7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene
PubChem CID88614597
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene
SMILESCN1CCC(=C2C=CNC3=C2CC=c2ccccc2=C3)CC1
InChIInChI=1S/C20H22N2/c1-22-12-9-16(10-13-22)18-8-11-21-20-14-17-5-3-2-4-15(17)6-7-19(18)20/h2-6,8,11,14,21H,7,9-10,12-13H2,1H3
InChIKeyCKBAKVIIKSRNED-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene?
The IUPAC name of 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene (CID 88614597) is 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene.
What is the SMILES notation for 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene?
The canonical SMILES for 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene is CN1CCC(=C2C=CNC3=C2CC=c2ccccc2=C3)CC1.
What is the InChIKey of 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene?
The InChIKey is CKBAKVIIKSRNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-22-12-9-16(10-13-22)18-8-11-21-20-14-17-5-3-2-4-15(17)6-7-19(18)20/h2-6,8,11,14,21H,7,9-10,12-13H2,1H3.
What are the key properties of 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene?
7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene has a molecular weight of 290.41 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene is sourced from PubChem (CID 88614597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).