ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate

C14H23N3O2 — CID 71781137

IUPACethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(Cn2ccnc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(18)11-16-7-4-13(5-8-16)10-17-9-6-15-12(17)2/h6,9,13H,3-5,7-8,10-11H2,1-2H3
InChIKeyUKVFCSICJJDIEI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds5

About ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate

ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate (PubChem CID 71781137) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate
PubChem CID71781137
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(Cn2ccnc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(18)11-16-7-4-13(5-8-16)10-17-9-6-15-12(17)2/h6,9,13H,3-5,7-8,10-11H2,1-2H3
InChIKeyUKVFCSICJJDIEI-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate (CID 71781137) is ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate is CCOC(=O)CN1CCC(Cn2ccnc2C)CC1.
What is the InChIKey of ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate?
The InChIKey is UKVFCSICJJDIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-14(18)11-16-7-4-13(5-8-16)10-17-9-6-15-12(17)2/h6,9,13H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate?
ethyl 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate 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 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 71781137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).