1-methyl-4-(tetrazol-1-yl)piperidine

C7H13N5 — CID 23389270

IUPAC1-methyl-4-(tetrazol-1-yl)piperidine
SMILESCN1CCC(n2cnnn2)CC1
InChIInChI=1S/C7H13N5/c1-11-4-2-7(3-5-11)12-6-8-9-10-12/h6-7H,2-5H2,1H3
InChIKeyVZSRIQJJQUTOOU-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.06
Rot. Bonds1

About 1-methyl-4-(tetrazol-1-yl)piperidine

1-methyl-4-(tetrazol-1-yl)piperidine (PubChem CID 23389270) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-methyl-4-(tetrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(tetrazol-1-yl)piperidine
PubChem CID23389270
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-methyl-4-(tetrazol-1-yl)piperidine
SMILESCN1CCC(n2cnnn2)CC1
InChIInChI=1S/C7H13N5/c1-11-4-2-7(3-5-11)12-6-8-9-10-12/h6-7H,2-5H2,1H3
InChIKeyVZSRIQJJQUTOOU-UHFFFAOYSA-N
XLogP-0.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(tetrazol-1-yl)piperidine?
The IUPAC name of 1-methyl-4-(tetrazol-1-yl)piperidine (CID 23389270) is 1-methyl-4-(tetrazol-1-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(tetrazol-1-yl)piperidine?
The canonical SMILES for 1-methyl-4-(tetrazol-1-yl)piperidine is CN1CCC(n2cnnn2)CC1.
What is the InChIKey of 1-methyl-4-(tetrazol-1-yl)piperidine?
The InChIKey is VZSRIQJJQUTOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-11-4-2-7(3-5-11)12-6-8-9-10-12/h6-7H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(tetrazol-1-yl)piperidine?
1-methyl-4-(tetrazol-1-yl)piperidine has a molecular weight of 167.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(tetrazol-1-yl)piperidine is sourced from PubChem (CID 23389270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).