tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate

C14H23N3O2 — CID 67434961

IUPACtert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
SMILESCc1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10-9-15-12(16-10)11-5-7-17(8-6-11)13(18)19-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16)
InChIKeyUSNVYNMHOCZYEK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.83
Rot. Bonds1

About tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate (PubChem CID 67434961) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
PubChem CID67434961
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
SMILESCc1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10-9-15-12(16-10)11-5-7-17(8-6-11)13(18)19-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16)
InChIKeyUSNVYNMHOCZYEK-UHFFFAOYSA-N
XLogP2.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate (CID 67434961) is tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate is Cc1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]1.
What is the InChIKey of tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is USNVYNMHOCZYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-15-12(16-10)11-5-7-17(8-6-11)13(18)19-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67434961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).