4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine

C21H23N — CID 171382282

IUPAC4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine
SMILES[2H][13C]([2H])([2H])N1CCC(=C2c3ccccc3C=CC3C=CC=CC23)CC1
InChIInChI=1S/C21H23N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,16,19H,12-15H2,1H3/i1+1D3
InChIKeyIICYUMWQHFAHRH-KQORAOOSSA-N
MW293.43 g/mol
LogP4.55
Rot. Bonds1

About 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine

4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine (PubChem CID 171382282) has the molecular formula C21H23N and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine.

Molecular Properties

Compound Name4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine
PubChem CID171382282
Molecular FormulaC21H23N
Molecular Weight293.43 g/mol
Exact Mass293.21
IUPAC Name4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine
SMILES[2H][13C]([2H])([2H])N1CCC(=C2c3ccccc3C=CC3C=CC=CC23)CC1
InChIInChI=1S/C21H23N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,16,19H,12-15H2,1H3/i1+1D3
InChIKeyIICYUMWQHFAHRH-KQORAOOSSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)piperidine
CID 70396745
1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine
CID 166138107
4-(5-iodo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)-1-methylpiperidine
CID 23343663
4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline
CID 59716175
4-(5-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)-1-methylpiperidine
CID 23343659
1-bromo-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 44814805
11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine
CID 12909385
10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride
CID 138399043
2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 15165712
3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline
CID 59069699
4-(6,11a-dihydro-4aH-benzo[c][1]benzoxepin-11-ylidene)-1-(ethylperoxymethyl)piperidine
CID 89211329
9,9-dideuterio-2-[1-(trideuteriomethyl)piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
CID 46842724

Frequently Asked Questions

What is the IUPAC name of 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine?
The IUPAC name of 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine (CID 171382282) is 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine.
What is the SMILES notation for 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine?
The canonical SMILES for 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine is [2H][13C]([2H])([2H])N1CCC(=C2c3ccccc3C=CC3C=CC=CC23)CC1.
What is the InChIKey of 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine?
The InChIKey is IICYUMWQHFAHRH-KQORAOOSSA-N. The full InChI is InChI=1S/C21H23N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,16,19H,12-15H2,1H3/i1+1D3.
What are the key properties of 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine?
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine has a molecular weight of 293.43 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine is sourced from PubChem (CID 171382282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).