ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate

C14H23N3O2 — CID 66155315

IUPACethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cncn2CC)CC1
InChIInChI=1S/C14H23N3O2/c1-3-17-11-15-9-13(17)10-16-7-5-12(6-8-16)14(18)19-4-2/h9,11-12H,3-8,10H2,1-2H3
InChIKeyRFJZQMONZQVDNA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.68
Rot. Bonds5

About ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate (PubChem CID 66155315) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
PubChem CID66155315
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cncn2CC)CC1
InChIInChI=1S/C14H23N3O2/c1-3-17-11-15-9-13(17)10-16-7-5-12(6-8-16)14(18)19-4-2/h9,11-12H,3-8,10H2,1-2H3
InChIKeyRFJZQMONZQVDNA-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone
CID 66154910
N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 66154550
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
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CID 113470964
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CID 5200395
ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62892331
ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80657136
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 87929233
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate (CID 66155315) is ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cncn2CC)CC1.
What is the InChIKey of ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate?
The InChIKey is RFJZQMONZQVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-11-15-9-13(17)10-16-7-5-12(6-8-16)14(18)19-4-2/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 66155315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).