1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine

C22H27N — CID 166138107

IUPAC1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine
SMILESCC1CC=C2C=Cc3ccccc3C(=C3CCN(C)CC3)C2C1
InChIInChI=1S/C22H27N/c1-16-7-8-18-10-9-17-5-3-4-6-20(17)22(21(18)15-16)19-11-13-23(2)14-12-19/h3-6,8-10,16,21H,7,11-15H2,1-2H3
InChIKeyVLAGJLJTYDALQK-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.17
Rot. Bonds

About 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine

1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine (PubChem CID 166138107) has the molecular formula C22H27N and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine
PubChem CID166138107
Molecular FormulaC22H27N
Molecular Weight305.46 g/mol
Exact Mass305.21
IUPAC Name1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine
SMILESCC1CC=C2C=Cc3ccccc3C(=C3CCN(C)CC3)C2C1
InChIInChI=1S/C22H27N/c1-16-7-8-18-10-9-17-5-3-4-6-20(17)22(21(18)15-16)19-11-13-23(2)14-12-19/h3-6,8-10,16,21H,7,11-15H2,1-2H3
InChIKeyVLAGJLJTYDALQK-UHFFFAOYSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine
CID 12909385
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-(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-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine
CID 15818607
4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidene)-1-(trideuterio(113C)methyl)piperidine
CID 171382282
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
1-hexyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 22990729
1-octyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 22990752
1-bromo-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 44814805
10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol;hydrochloride
CID 138399043
11-(1-methylpiperidin-4-ylidene)-1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine
CID 25054761

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine?
The IUPAC name of 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine (CID 166138107) is 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine.
What is the SMILES notation for 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine?
The canonical SMILES for 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine is CC1CC=C2C=Cc3ccccc3C(=C3CCN(C)CC3)C2C1.
What is the InChIKey of 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine?
The InChIKey is VLAGJLJTYDALQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-16-7-8-18-10-9-17-5-3-4-6-20(17)22(21(18)15-16)19-11-13-23(2)14-12-19/h3-6,8-10,16,21H,7,11-15H2,1-2H3.
What are the key properties of 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine?
1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine has a molecular weight of 305.46 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),7,9,11,13-pentaenylidene)piperidine is sourced from PubChem (CID 166138107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).