ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate

C12H19N3O2 — CID 62131854

IUPACethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nccn2C)CC1
InChIInChI=1S/C12H19N3O2/c1-3-17-11(16)10-4-7-15(8-5-10)12-13-6-9-14(12)2/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyYHFNAAAFXNVMNP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds3

About ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate

ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate (PubChem CID 62131854) 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-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
PubChem CID62131854
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nccn2C)CC1
InChIInChI=1S/C12H19N3O2/c1-3-17-11(16)10-4-7-15(8-5-10)12-13-6-9-14(12)2/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyYHFNAAAFXNVMNP-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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Related Compounds

ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate (CID 62131854) is ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nccn2C)CC1.
What is the InChIKey of ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate?
The InChIKey is YHFNAAAFXNVMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-11(16)10-4-7-15(8-5-10)12-13-6-9-14(12)2/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate?
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-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-4-carboxylate is sourced from PubChem (CID 62131854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).