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

C14H23N3O2 — CID 62026889

IUPACethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(18)13-4-7-16(8-5-13)10-11-17-9-6-15-12(17)2/h6,9,13H,3-5,7-8,10-11H2,1-2H3
InChIKeyWZHCVQYHMVOBSR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds5

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

ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate (PubChem CID 62026889) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
PubChem CID62026889
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(18)13-4-7-16(8-5-13)10-11-17-9-6-15-12(17)2/h6,9,13H,3-5,7-8,10-11H2,1-2H3
InChIKeyWZHCVQYHMVOBSR-UHFFFAOYSA-N
XLogP1.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
ethyl 1-[2-(4-iodopiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 144962699
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
2-methyl-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592405
ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
CID 62026129
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592921
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate (CID 62026889) is ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCn2ccnc2C)CC1.
What is the InChIKey of ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate?
The InChIKey is WZHCVQYHMVOBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-14(18)13-4-7-16(8-5-13)10-11-17-9-6-15-12(17)2/h6,9,13H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 62026889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).