3-(tetrazol-1-ylmethyl)piperidine

C7H13N5 — CID 82512096

IUPAC3-(tetrazol-1-ylmethyl)piperidine
SMILESc1nnnn1CC1CCCNC1
InChIInChI=1S/C7H13N5/c1-2-7(4-8-3-1)5-12-6-9-10-11-12/h6-8H,1-5H2
InChIKeyVQMLZPQMCPCNQC-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.33
Rot. Bonds2

About 3-(tetrazol-1-ylmethyl)piperidine

3-(tetrazol-1-ylmethyl)piperidine (PubChem CID 82512096) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 3-(tetrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(tetrazol-1-ylmethyl)piperidine
PubChem CID82512096
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name3-(tetrazol-1-ylmethyl)piperidine
SMILESc1nnnn1CC1CCCNC1
InChIInChI=1S/C7H13N5/c1-2-7(4-8-3-1)5-12-6-9-10-11-12/h6-8H,1-5H2
InChIKeyVQMLZPQMCPCNQC-UHFFFAOYSA-N
XLogP-0.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132
(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974
1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851129
3-[[4-(difluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84734904
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
1-[1-(azepan-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 165456758
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
3-[(5-phenyltriazol-1-yl)methyl]piperidine
CID 115044790
3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 84735734
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-ylmethyl)piperidine?
The IUPAC name of 3-(tetrazol-1-ylmethyl)piperidine (CID 82512096) is 3-(tetrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 3-(tetrazol-1-ylmethyl)piperidine?
The canonical SMILES for 3-(tetrazol-1-ylmethyl)piperidine is c1nnnn1CC1CCCNC1.
What is the InChIKey of 3-(tetrazol-1-ylmethyl)piperidine?
The InChIKey is VQMLZPQMCPCNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-2-7(4-8-3-1)5-12-6-9-10-11-12/h6-8H,1-5H2.
What are the key properties of 3-(tetrazol-1-ylmethyl)piperidine?
3-(tetrazol-1-ylmethyl)piperidine has a molecular weight of 167.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 82512096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).