4-[4-(2H-tetrazol-5-yl)phenyl]piperidine

C12H15N5 — CID 84792848

IUPAC4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
SMILESc1cc(C2CCNCC2)ccc1-c1nn[nH]n1
InChIInChI=1S/C12H15N5/c1-3-11(12-14-16-17-15-12)4-2-9(1)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15,16,17)
InChIKeyAJRSKJDYFJVHDG-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.33
Rot. Bonds2

About 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine

4-[4-(2H-tetrazol-5-yl)phenyl]piperidine (PubChem CID 84792848) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine.

Molecular Properties

Compound Name4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
PubChem CID84792848
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
SMILESc1cc(C2CCNCC2)ccc1-c1nn[nH]n1
InChIInChI=1S/C12H15N5/c1-3-11(12-14-16-17-15-12)4-2-9(1)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15,16,17)
InChIKeyAJRSKJDYFJVHDG-UHFFFAOYSA-N
XLogP1.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine?
The IUPAC name of 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine (CID 84792848) is 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine.
What is the SMILES notation for 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine?
The canonical SMILES for 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine is c1cc(C2CCNCC2)ccc1-c1nn[nH]n1.
What is the InChIKey of 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine?
The InChIKey is AJRSKJDYFJVHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-3-11(12-14-16-17-15-12)4-2-9(1)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15,16,17).
What are the key properties of 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine?
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine has a molecular weight of 229.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2H-tetrazol-5-yl)phenyl]piperidine is sourced from PubChem (CID 84792848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).