7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C21H21N5 — CID 10521333

IUPAC7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESc1ccc(CN2CCN(c3nc4ncccc4n4cccc34)CC2)cc1
InChIInChI=1S/C21H21N5/c1-2-6-17(7-3-1)16-24-12-14-25(15-13-24)21-19-9-5-11-26(19)18-8-4-10-22-20(18)23-21/h1-11H,12-16H2
InChIKeyLMTXWHZJQVZDNU-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.20
Rot. Bonds3

About 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 10521333) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID10521333
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESc1ccc(CN2CCN(c3nc4ncccc4n4cccc34)CC2)cc1
InChIInChI=1S/C21H21N5/c1-2-6-17(7-3-1)16-24-12-14-25(15-13-24)21-19-9-5-11-26(19)18-8-4-10-22-20(18)23-21/h1-11H,12-16H2
InChIKeyLMTXWHZJQVZDNU-UHFFFAOYSA-N
XLogP3.20
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene with MolForge

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Related Compounds

4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
CID 10619583
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-(1-benzylpiperidin-4-yl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522832
7-(4-phenylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10853821
1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol
CID 69279612
[3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine
CID 80505607
1-benzyl-2-methylimidazo[4,5-b]pyridine
CID 151866013
6-(4-benzyl-1,4-diazepan-1-yl)-7H-purine
CID 44776748
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 10521333) is 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is c1ccc(CN2CCN(c3nc4ncccc4n4cccc34)CC2)cc1.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is LMTXWHZJQVZDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-2-6-17(7-3-1)16-24-12-14-25(15-13-24)21-19-9-5-11-26(19)18-8-4-10-22-20(18)23-21/h1-11H,12-16H2.
What are the key properties of 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 343.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 10521333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).