1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine

C20H22N2 — CID 13014694

IUPAC1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine
SMILESCN1CCN(C2=Cc3ccccc3Cc3ccccc32)CC1
InChIInChI=1S/C20H22N2/c1-21-10-12-22(13-11-21)20-15-17-7-3-2-6-16(17)14-18-8-4-5-9-19(18)20/h2-9,15H,10-14H2,1H3
InChIKeyCQBZYAFJUWYRHM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.34
Rot. Bonds1

About 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine

1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine (PubChem CID 13014694) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine
PubChem CID13014694
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine
SMILESCN1CCN(C2=Cc3ccccc3Cc3ccccc32)CC1
InChIInChI=1S/C20H22N2/c1-21-10-12-22(13-11-21)20-15-17-7-3-2-6-16(17)14-18-8-4-5-9-19(18)20/h2-9,15H,10-14H2,1H3
InChIKeyCQBZYAFJUWYRHM-UHFFFAOYSA-N
XLogP3.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 1547484
Cyclizine
CID 6726
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CID 6468
Cyproheptadine Hydrochloride
CID 13770
Setiptiline
CID 5205
Mianserin Hydrochloride
CID 68551
Phencyclidine Hydrochloride
CID 9795678
Azapetine
CID 8966
Cyclizine Hydrochloride
CID 6420019
1,4-Dibenzylpiperazine
CID 200601

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine?
The IUPAC name of 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine (CID 13014694) is 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine.
What is the SMILES notation for 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine?
The canonical SMILES for 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine is CN1CCN(C2=Cc3ccccc3Cc3ccccc32)CC1.
What is the InChIKey of 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine?
The InChIKey is CQBZYAFJUWYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-21-10-12-22(13-11-21)20-15-17-7-3-2-6-16(17)14-18-8-4-5-9-19(18)20/h2-9,15H,10-14H2,1H3.
What are the key properties of 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine?
1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine has a molecular weight of 290.41 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine is sourced from PubChem (CID 13014694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).