ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate

C12H19N3O2 — CID 55039295

IUPACethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nccn2C)C1
InChIInChI=1S/C12H19N3O2/c1-3-17-11(16)10-5-4-7-15(9-10)12-13-6-8-14(12)2/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyYSAADEUUGFSMST-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds3

About ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate

ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate (PubChem CID 55039295) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate
PubChem CID55039295
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nccn2C)C1
InChIInChI=1S/C12H19N3O2/c1-3-17-11(16)10-5-4-7-15(9-10)12-13-6-8-14(12)2/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyYSAADEUUGFSMST-UHFFFAOYSA-N
XLogP1.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate (CID 55039295) is ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2nccn2C)C1.
What is the InChIKey of ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate?
The InChIKey is YSAADEUUGFSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-11(16)10-5-4-7-15(9-10)12-13-6-8-14(12)2/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate?
ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 55039295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).