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

C14H26N6O2 — CID 103730212

IUPACtert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate
SMILESCC(NCC1CCN(C(=O)OC(C)(C)C)CC1)c1nn[nH]n1
InChIInChI=1S/C14H26N6O2/c1-10(12-16-18-19-17-12)15-9-11-5-7-20(8-6-11)13(21)22-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyRNTZTJWNYGUUEM-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.50
Rot. Bonds4

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

tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate (PubChem CID 103730212) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate
PubChem CID103730212
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Nametert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate
SMILESCC(NCC1CCN(C(=O)OC(C)(C)C)CC1)c1nn[nH]n1
InChIInChI=1S/C14H26N6O2/c1-10(12-16-18-19-17-12)15-9-11-5-7-20(8-6-11)13(21)22-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyRNTZTJWNYGUUEM-UHFFFAOYSA-N
XLogP1.50
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate (CID 103730212) is tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate is CC(NCC1CCN(C(=O)OC(C)(C)C)CC1)c1nn[nH]n1.
What is the InChIKey of tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate?
The InChIKey is RNTZTJWNYGUUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-10(12-16-18-19-17-12)15-9-11-5-7-20(8-6-11)13(21)22-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,17,18,19).
What are the key properties of tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103730212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).