1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine

C28H27N — CID 19792618

IUPAC1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
SMILESCc1cccc(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1
InChIInChI=1S/C28H27N/c1-21-7-6-8-22(19-21)20-29-17-15-25(16-18-29)28-26-11-4-2-9-23(26)13-14-24-10-3-5-12-27(24)28/h2-14,19H,15-18,20H2,1H3
InChIKeyVERVGMLTEWPUCJ-UHFFFAOYSA-N
MW377.53 g/mol
LogP6.58
Rot. Bonds2

About 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine

1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine (PubChem CID 19792618) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
PubChem CID19792618
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
SMILESCc1cccc(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1
InChIInChI=1S/C28H27N/c1-21-7-6-8-22(19-21)20-29-17-15-25(16-18-29)28-26-11-4-2-9-23(26)13-14-24-10-3-5-12-27(24)28/h2-14,19H,15-18,20H2,1H3
InChIKeyVERVGMLTEWPUCJ-UHFFFAOYSA-N
XLogP6.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]aniline
CID 19792635
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
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-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]piperidine;hydrochloride
CID 70024576
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]hexanoic acid;hydrochloride
CID 67914039
1-[3-(benzenesulfinyl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 22990904

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine (CID 19792618) is 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine is Cc1cccc(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine?
The InChIKey is VERVGMLTEWPUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-21-7-6-8-22(19-21)20-29-17-15-25(16-18-29)28-26-11-4-2-9-23(26)13-14-24-10-3-5-12-27(24)28/h2-14,19H,15-18,20H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine?
1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine has a molecular weight of 377.53 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine is sourced from PubChem (CID 19792618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).