tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate

C15H25N3O2 — CID 23084136

IUPACtert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
SMILESCCc1nccn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-5-13-16-8-11-18(13)12-6-9-17(10-7-12)14(19)20-15(2,3)4/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyNHFSQDSTBFKDFJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.02
Rot. Bonds2

About tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 23084136) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
PubChem CID23084136
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
SMILESCCc1nccn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-5-13-16-8-11-18(13)12-6-9-17(10-7-12)14(19)20-15(2,3)4/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyNHFSQDSTBFKDFJ-UHFFFAOYSA-N
XLogP3.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
CID 23084185
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
CID 118961780
5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 125452272
CID 176562010
CID 176562010
tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
CID 11255100
tert-butyl 3-(2-bromoimidazol-1-yl)azetidine-1-carboxylate
CID 172993569
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
2-ethyl-1-(4-methylcyclohexyl)imidazole
CID 64776318
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 58270310
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate (CID 23084136) is tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate is CCc1nccn1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is NHFSQDSTBFKDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-13-16-8-11-18(13)12-6-9-17(10-7-12)14(19)20-15(2,3)4/h8,11-12H,5-7,9-10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).