(1-tert-butylimidazol-4-yl) piperidine-1-carboxylate

C13H21N3O2 — CID 175432180

IUPAC(1-tert-butylimidazol-4-yl) piperidine-1-carboxylate
SMILESCC(C)(C)n1cnc(OC(=O)N2CCCCC2)c1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16-9-11(14-10-16)18-12(17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyUJLCPJTXTWDBHH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.62
Rot. Bonds1

About (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate

(1-tert-butylimidazol-4-yl) piperidine-1-carboxylate (PubChem CID 175432180) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-tert-butylimidazol-4-yl) piperidine-1-carboxylate
PubChem CID175432180
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(1-tert-butylimidazol-4-yl) piperidine-1-carboxylate
SMILESCC(C)(C)n1cnc(OC(=O)N2CCCCC2)c1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16-9-11(14-10-16)18-12(17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyUJLCPJTXTWDBHH-UHFFFAOYSA-N
XLogP2.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyrazin-2-yl pyrrolidine-1-carboxylate
CID 154365192
(2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium
CID 91515194
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
CID 175498808
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
[3-(1,1-difluoroethyl)-2-methyl-4H-pyrimidin-6-yl] piperidine-1-carboxylate
CID 90101229
(2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate
CID 156636510
1,3,4-oxadiazol-2-yl piperidine-1-carboxylate
CID 175191230
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
1,2-oxazol-5-yl piperidine-1-carboxylate
CID 24866165
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate?
The IUPAC name of (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate (CID 175432180) is (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate.
What is the SMILES notation for (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate?
The canonical SMILES for (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate is CC(C)(C)n1cnc(OC(=O)N2CCCCC2)c1.
What is the InChIKey of (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate?
The InChIKey is UJLCPJTXTWDBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)16-9-11(14-10-16)18-12(17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3.
What are the key properties of (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate?
(1-tert-butylimidazol-4-yl) piperidine-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylimidazol-4-yl) piperidine-1-carboxylate is sourced from PubChem (CID 175432180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).