ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate

C12H21N5O2 — CID 79317300

IUPACethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCC1CCCCN1C
InChIInChI=1S/C12H21N5O2/c1-3-19-12(18)11-13-14-15-17(11)9-7-10-6-4-5-8-16(10)2/h10H,3-9H2,1-2H3
InChIKeyFPGPLSWKUOHWKN-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.72
Rot. Bonds5

About ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate

ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate (PubChem CID 79317300) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate
PubChem CID79317300
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Nameethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCC1CCCCN1C
InChIInChI=1S/C12H21N5O2/c1-3-19-12(18)11-13-14-15-17(11)9-7-10-6-4-5-8-16(10)2/h10H,3-9H2,1-2H3
InChIKeyFPGPLSWKUOHWKN-UHFFFAOYSA-N
XLogP0.72
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate (CID 79317300) is ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1CCC1CCCCN1C.
What is the InChIKey of ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate?
The InChIKey is FPGPLSWKUOHWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-19-12(18)11-13-14-15-17(11)9-7-10-6-4-5-8-16(10)2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate?
ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1-methylpiperidin-2-yl)ethyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79317300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).