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

C28H34N2 — CID 22990849

IUPAC1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
SMILESC1=Cc2ccccc2C(=C2CCN(CCCC3CCCCN3)CC2)c2ccccc21
InChIInChI=1S/C28H34N2/c1-3-12-26-22(8-1)14-15-23-9-2-4-13-27(23)28(26)24-16-20-30(21-17-24)19-7-11-25-10-5-6-18-29-25/h1-4,8-9,12-15,25,29H,5-7,10-11,16-21H2
InChIKeySKSGIQAGOCBODR-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.99
Rot. Bonds4

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

1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine (PubChem CID 22990849) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine.

Molecular Properties

Compound Name1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
PubChem CID22990849
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC Name1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
SMILESC1=Cc2ccccc2C(=C2CCN(CCCC3CCCCN3)CC2)c2ccccc21
InChIInChI=1S/C28H34N2/c1-3-12-26-22(8-1)14-15-23-9-2-4-13-27(23)28(26)24-16-20-30(21-17-24)19-7-11-25-10-5-6-18-29-25/h1-4,8-9,12-15,25,29H,5-7,10-11,16-21H2
InChIKeySKSGIQAGOCBODR-UHFFFAOYSA-N
XLogP5.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-2-ylpropyl)-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-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine (CID 22990849) is 1-(3-piperidin-2-ylpropyl)-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-piperidin-2-ylpropyl)-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-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine is C1=Cc2ccccc2C(=C2CCN(CCCC3CCCCN3)CC2)c2ccccc21.
What is the InChIKey of 1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine?
The InChIKey is SKSGIQAGOCBODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2/c1-3-12-26-22(8-1)14-15-23-9-2-4-13-27(23)28(26)24-16-20-30(21-17-24)19-7-11-25-10-5-6-18-29-25/h1-4,8-9,12-15,25,29H,5-7,10-11,16-21H2.
What are the key properties of 1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine?
1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine has a molecular weight of 398.59 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-2-ylpropyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine is sourced from PubChem (CID 22990849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).