4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline

C20H20N6 — CID 3241422

IUPAC4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
SMILESc1ccc(CC2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1
InChIInChI=1S/C20H20N6/c1-2-6-15(7-3-1)14-16-10-12-25(13-11-16)19-20-22-23-24-26(20)18-9-5-4-8-17(18)21-19/h1-9,16H,10-14H2
InChIKeyYHCDGPQQTWQZCW-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.13
Rot. Bonds3

About 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline

4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline (PubChem CID 3241422) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
PubChem CID3241422
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
SMILESc1ccc(CC2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1
InChIInChI=1S/C20H20N6/c1-2-6-15(7-3-1)14-16-10-12-25(13-11-16)19-20-22-23-24-26(20)18-9-5-4-8-17(18)21-19/h1-9,16H,10-14H2
InChIKeyYHCDGPQQTWQZCW-UHFFFAOYSA-N
XLogP3.13
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(tetrazolo[1,5-a]quinoxalin-4-yl)morpholine
CID 5309141
4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
CID 20889100
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
CID 115473666
4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
CID 91964253
4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 1428697
3-[2-(4-benzylpiperidin-1-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 4668560
5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
CID 16813284
4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
CID 1430991
4-(4-benzylpiperidin-1-yl)-2-cyclobutyl-5-methylquinazoline
CID 171988069

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline (CID 3241422) is 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline is c1ccc(CC2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline?
The InChIKey is YHCDGPQQTWQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-6-15(7-3-1)14-16-10-12-25(13-11-16)19-20-22-23-24-26(20)18-9-5-4-8-17(18)21-19/h1-9,16H,10-14H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline?
4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline has a molecular weight of 344.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 3241422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).