tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate

C11H19N5O2 — CID 10106305

IUPACtert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)16-6-4-5-8(7-16)9-12-14-15-13-9/h8H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyIJGIPCAPKVENLU-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.31
Rot. Bonds1

About tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate

tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate (PubChem CID 10106305) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate
PubChem CID10106305
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Nametert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)16-6-4-5-8(7-16)9-12-14-15-13-9/h8H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyIJGIPCAPKVENLU-UHFFFAOYSA-N
XLogP1.31
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-amino-4-(2H-1,2,3,4-tetrazol-5-yl)piperidine-1-carboxylate
CID 145913011
tert-butyl 4-[amino(2H-1,2,3,4-tetrazol-5-yl)methyl]piperidine-1-carboxylate
CID 170912369
tert-butyl 4-(2H-tetrazol-5-yl)-4-(trifluoromethyl)piperidine-1-carboxylate
CID 170621610
ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate
CID 10036610
Tert-butyl 4-(2H-tetrazol-5-YL)piperidine-1-carboxylate
CID 18187701
tert-butyl 2-(2H-tetrazol-5-yl)piperidine-1-carboxylate
CID 23650086
tert-butyl (2R)-2-(2H-tetrazol-5-yl)piperidine-1-carboxylate
CID 23650087
Tert-butyl 3-(2H-tetrazol-5-YL)pyrrolidine-1-carboxylate
CID 53429460
tert-Butyl (R)-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
CID 58430906
Tert-butyl 4-(1H-tetrazol-5-ylmethyl)piperazine-1-carboxylate
CID 67972343
tert-butyl (1S,5R)-6-(2H-tetrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 67986507
tert-butyl (5S)-6-(2H-tetrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 68396469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate (CID 10106305) is tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is IJGIPCAPKVENLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)16-6-4-5-8(7-16)9-12-14-15-13-9/h8H,4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate?
tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 253.31 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 10106305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).