1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine

C12H14N6O2 — CID 5200394

IUPAC1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine
SMILESO=[N+]([O-])c1ccc(-n2nnnc2N2CCCCC2)cc1
InChIInChI=1S/C12H14N6O2/c19-18(20)11-6-4-10(5-7-11)17-12(13-14-15-17)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2
InChIKeyDZYIQGYAOCBTEV-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.56
Rot. Bonds3

About 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine

1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine (PubChem CID 5200394) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine
PubChem CID5200394
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine
SMILESO=[N+]([O-])c1ccc(-n2nnnc2N2CCCCC2)cc1
InChIInChI=1S/C12H14N6O2/c19-18(20)11-6-4-10(5-7-11)17-12(13-14-15-17)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2
InChIKeyDZYIQGYAOCBTEV-UHFFFAOYSA-N
XLogP1.56
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine?
The IUPAC name of 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine (CID 5200394) is 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine.
What is the SMILES notation for 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine?
The canonical SMILES for 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine is O=[N+]([O-])c1ccc(-n2nnnc2N2CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine?
The InChIKey is DZYIQGYAOCBTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c19-18(20)11-6-4-10(5-7-11)17-12(13-14-15-17)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2.
What are the key properties of 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine?
1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine has a molecular weight of 274.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-nitrophenyl)tetrazol-5-yl]piperidine is sourced from PubChem (CID 5200394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).