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

C9H15N5O2 — CID 10036610

IUPACethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C9H15N5O2/c1-2-16-9(15)14-5-3-4-7(6-14)8-10-12-13-11-8/h7H,2-6H2,1H3,(H,10,11,12,13)
InChIKeyWQNYOEOREWZPNE-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.54
Rot. Bonds2

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

ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate (PubChem CID 10036610) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate
PubChem CID10036610
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Nameethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C9H15N5O2/c1-2-16-9(15)14-5-3-4-7(6-14)8-10-12-13-11-8/h7H,2-6H2,1H3,(H,10,11,12,13)
InChIKeyWQNYOEOREWZPNE-UHFFFAOYSA-N
XLogP0.54
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate (CID 10036610) is ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate is CCOC(=O)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is WQNYOEOREWZPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-16-9(15)14-5-3-4-7(6-14)8-10-12-13-11-8/h7H,2-6H2,1H3,(H,10,11,12,13).
What are the key properties of ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate?
ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2H-tetrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 10036610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).