1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine

C19H22N2 — CID 22497211

IUPAC1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine
SMILESc1ccc2c(c1)CCc1c(cccc1N1CCNCC1)C2
InChIInChI=1S/C19H22N2/c1-2-5-16-14-17-6-3-7-19(21-12-10-20-11-13-21)18(17)9-8-15(16)4-1/h1-7,20H,8-14H2
InChIKeyKGZOIFHAVUHXET-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.79
Rot. Bonds1

About 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine

1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine (PubChem CID 22497211) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine.

Molecular Properties

Compound Name1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine
PubChem CID22497211
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine
SMILESc1ccc2c(c1)CCc1c(cccc1N1CCNCC1)C2
InChIInChI=1S/C19H22N2/c1-2-5-16-14-17-6-3-7-19(21-12-10-20-11-13-21)18(17)9-8-15(16)4-1/h1-7,20H,8-14H2
InChIKeyKGZOIFHAVUHXET-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine?
The IUPAC name of 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine (CID 22497211) is 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine.
What is the SMILES notation for 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine?
The canonical SMILES for 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine is c1ccc2c(c1)CCc1c(cccc1N1CCNCC1)C2.
What is the InChIKey of 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine?
The InChIKey is KGZOIFHAVUHXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-5-16-14-17-6-3-7-19(21-12-10-20-11-13-21)18(17)9-8-15(16)4-1/h1-7,20H,8-14H2.
What are the key properties of 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine?
1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine has a molecular weight of 278.40 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)piperazine is sourced from PubChem (CID 22497211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).