methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate

C11H17N3O2 — CID 67586598

IUPACmethyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCC(c2nccn2C)N1
InChIInChI=1S/C11H17N3O2/c1-14-7-6-12-10(14)8-4-3-5-9(13-8)11(15)16-2/h6-9,13H,3-5H2,1-2H3
InChIKeyNKKVBBGLVWEWMZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds2

About methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate

methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate (PubChem CID 67586598) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate
PubChem CID67586598
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCC(c2nccn2C)N1
InChIInChI=1S/C11H17N3O2/c1-14-7-6-12-10(14)8-4-3-5-9(13-8)11(15)16-2/h6-9,13H,3-5H2,1-2H3
InChIKeyNKKVBBGLVWEWMZ-UHFFFAOYSA-N
XLogP0.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate (CID 67586598) is methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate is COC(=O)C1CCCC(c2nccn2C)N1.
What is the InChIKey of methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate?
The InChIKey is NKKVBBGLVWEWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-7-6-12-10(14)8-4-3-5-9(13-8)11(15)16-2/h6-9,13H,3-5H2,1-2H3.
What are the key properties of methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate?
methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-methylimidazol-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 67586598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).