6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C23H26N2O — CID 22965921

IUPAC6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESC=Cc1cnc2c(c1)CCc1cc(C)cc(OC)c1C2=C1CCNCC1
InChIInChI=1S/C23H26N2O/c1-4-16-13-19-6-5-18-11-15(2)12-20(26-3)21(18)22(23(19)25-14-16)17-7-9-24-10-8-17/h4,11-14,24H,1,5-10H2,2-3H3
InChIKeyPKWHWAUTLLIZNL-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.33
Rot. Bonds2

About 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 22965921) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID22965921
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESC=Cc1cnc2c(c1)CCc1cc(C)cc(OC)c1C2=C1CCNCC1
InChIInChI=1S/C23H26N2O/c1-4-16-13-19-6-5-18-11-15(2)12-20(26-3)21(18)22(23(19)25-14-16)17-7-9-24-10-8-17/h4,11-14,24H,1,5-10H2,2-3H3
InChIKeyPKWHWAUTLLIZNL-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene with MolForge

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Related Compounds

6-bromo-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-bromo-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-15-ol
CID 157128391
1-[4-(6-bromo-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-(1-hydroxypyridin-1-ium-4-yl)ethanone
CID 22965925
potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide
CID 160897674
2-(1-hydroxypyridin-1-ium-4-yl)-1-[4-(15-methoxy-6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]ethanone;15-methoxy-6,13-dimethyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 159872851
1-[4-(13-chloro-6-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;13-chloro-6-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 91004561
5-ethenyl-7-methoxy-3H-2-benzofuran-1-one
CID 66643933
5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781910
1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
3-methyl-5,6-dihydrobenzo[h]quinoline
CID 59294831
2-chloro-4-ethenyl-1-methoxybenzene
CID 11147958
1-[(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171283971
7-methoxy-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 68632948

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 22965921) is 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is C=Cc1cnc2c(c1)CCc1cc(C)cc(OC)c1C2=C1CCNCC1.
What is the InChIKey of 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is PKWHWAUTLLIZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-4-16-13-19-6-5-18-11-15(2)12-20(26-3)21(18)22(23(19)25-14-16)17-7-9-24-10-8-17/h4,11-14,24H,1,5-10H2,2-3H3.
What are the key properties of 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 346.47 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 22965921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).