1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine

C19H21N5 — CID 21219173

IUPAC1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine
SMILESc1ccc(CN2CCC(n3nnnc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)15-23-13-11-18(12-14-23)24-19(20-21-22-24)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyWRQPPYQGOCMHJN-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.18
Rot. Bonds4

About 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine

1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine (PubChem CID 21219173) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine
PubChem CID21219173
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine
SMILESc1ccc(CN2CCC(n3nnnc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N5/c1-3-7-16(8-4-1)15-23-13-11-18(12-14-23)24-19(20-21-22-24)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyWRQPPYQGOCMHJN-UHFFFAOYSA-N
XLogP3.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole, 1-ethyl-5-phenyl-
CID 100270
1-Benzyl-5-phenyl-1H-tetraazole
CID 307907
1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
1-Benzyl-3,5-diphenyl-1,2,4-triazole
CID 856237
5-(2,3-Dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole
CID 11687741
1-Benzyl-4-(5-phenyl-tetrazol-2-yl)-piperidine
CID 21219144
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158813
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine?
The IUPAC name of 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine (CID 21219173) is 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine is c1ccc(CN2CCC(n3nnnc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine?
The InChIKey is WRQPPYQGOCMHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-7-16(8-4-1)15-23-13-11-18(12-14-23)24-19(20-21-22-24)17-9-5-2-6-10-17/h1-10,18H,11-15H2.
What are the key properties of 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine?
1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine has a molecular weight of 319.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-phenyltetrazol-1-yl)piperidine is sourced from PubChem (CID 21219173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).