1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine

C14H20N6 — CID 134112290

IUPAC1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine
SMILESc1ccc(Cn2nnnc2NCN2CCCCC2)cc1
InChIInChI=1S/C14H20N6/c1-3-7-13(8-4-1)11-20-14(16-17-18-20)15-12-19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,16,18)
InChIKeyXARDDKSDPRKZBF-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.58
Rot. Bonds5

About 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine

1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine (PubChem CID 134112290) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine
PubChem CID134112290
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine
SMILESc1ccc(Cn2nnnc2NCN2CCCCC2)cc1
InChIInChI=1S/C14H20N6/c1-3-7-13(8-4-1)11-20-14(16-17-18-20)15-12-19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,16,18)
InChIKeyXARDDKSDPRKZBF-UHFFFAOYSA-N
XLogP1.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine (CID 134112290) is 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine is c1ccc(Cn2nnnc2NCN2CCCCC2)cc1.
What is the InChIKey of 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine?
The InChIKey is XARDDKSDPRKZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-7-13(8-4-1)11-20-14(16-17-18-20)15-12-19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,16,18).
What are the key properties of 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine?
1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine has a molecular weight of 272.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(piperidin-1-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 134112290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).