tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate

C12H22N6O2 — CID 170912369

IUPACtert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)c2nn[nH]n2)CC1
InChIInChI=1S/C12H22N6O2/c1-12(2,3)20-11(19)18-6-4-8(5-7-18)9(13)10-14-16-17-15-10/h8-9H,4-7,13H2,1-3H3,(H,14,15,16,17)
InChIKeyPVNNURVLBCLTAI-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.85
Rot. Bonds2

About tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate (PubChem CID 170912369) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate
PubChem CID170912369
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Nametert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)c2nn[nH]n2)CC1
InChIInChI=1S/C12H22N6O2/c1-12(2,3)20-11(19)18-6-4-8(5-7-18)9(13)10-14-16-17-15-10/h8-9H,4-7,13H2,1-3H3,(H,14,15,16,17)
InChIKeyPVNNURVLBCLTAI-UHFFFAOYSA-N
XLogP0.85
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate (CID 170912369) is tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(N)c2nn[nH]n2)CC1.
What is the InChIKey of tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate?
The InChIKey is PVNNURVLBCLTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-12(2,3)20-11(19)18-6-4-8(5-7-18)9(13)10-14-16-17-15-10/h8-9H,4-7,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate has a molecular weight of 282.35 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[amino(2H-tetrazol-5-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 170912369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).