3-methyl-5-(2-methyltetrazol-5-yl)piperidine

C8H15N5 — CID 130993639

IUPAC3-methyl-5-(2-methyltetrazol-5-yl)piperidine
SMILESCC1CNCC(c2nnn(C)n2)C1
InChIInChI=1S/C8H15N5/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGHIVOHJOJYBGQD-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.08
Rot. Bonds1

About 3-methyl-5-(2-methyltetrazol-5-yl)piperidine

3-methyl-5-(2-methyltetrazol-5-yl)piperidine (PubChem CID 130993639) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-5-(2-methyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name3-methyl-5-(2-methyltetrazol-5-yl)piperidine
PubChem CID130993639
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-methyl-5-(2-methyltetrazol-5-yl)piperidine
SMILESCC1CNCC(c2nnn(C)n2)C1
InChIInChI=1S/C8H15N5/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGHIVOHJOJYBGQD-UHFFFAOYSA-N
XLogP-0.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyltetrazol-5-yl)piperidine?
The IUPAC name of 3-methyl-5-(2-methyltetrazol-5-yl)piperidine (CID 130993639) is 3-methyl-5-(2-methyltetrazol-5-yl)piperidine.
What is the SMILES notation for 3-methyl-5-(2-methyltetrazol-5-yl)piperidine?
The canonical SMILES for 3-methyl-5-(2-methyltetrazol-5-yl)piperidine is CC1CNCC(c2nnn(C)n2)C1.
What is the InChIKey of 3-methyl-5-(2-methyltetrazol-5-yl)piperidine?
The InChIKey is GHIVOHJOJYBGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methyltetrazol-5-yl)piperidine?
3-methyl-5-(2-methyltetrazol-5-yl)piperidine has a molecular weight of 181.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyltetrazol-5-yl)piperidine is sourced from PubChem (CID 130993639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).