tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate

C16H27N3O2 — CID 23084185

IUPACtert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)c1nccn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27N3O2/c1-12(2)14-17-8-11-19(14)13-6-9-18(10-7-13)15(20)21-16(3,4)5/h8,11-13H,6-7,9-10H2,1-5H3
InChIKeyOEZOWSNQVFAJQQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.58
Rot. Bonds2

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

tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 23084185) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
PubChem CID23084185
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)c1nccn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27N3O2/c1-12(2)14-17-8-11-19(14)13-6-9-18(10-7-13)15(20)21-16(3,4)5/h8,11-13H,6-7,9-10H2,1-5H3
InChIKeyOEZOWSNQVFAJQQ-UHFFFAOYSA-N
XLogP3.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
tert-butyl 4-[1-(1-methylimidazol-2-yl)ethylamino]azepane-1-carboxylate
CID 102613499
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
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
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 58270310
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
CID 97175835
tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 69192840
tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
CID 18969335
tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate
CID 146498263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate (CID 23084185) is tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate is CC(C)c1nccn1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is OEZOWSNQVFAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)14-17-8-11-19(14)13-6-9-18(10-7-13)15(20)21-16(3,4)5/h8,11-13H,6-7,9-10H2,1-5H3.
What are the key properties of tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 293.41 g/mol, XLogP of 3.58, 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-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).