tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate

C13H22N4O2 — CID 18969335

IUPACtert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc(N)c2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-6-4-10(5-7-16)17-8-11(14)15-9-17/h8-10H,4-7,14H2,1-3H3
InChIKeySPEGFCTUSUAJKM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds1

About tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 18969335) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
PubChem CID18969335
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc(N)c2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-6-4-10(5-7-16)17-8-11(14)15-9-17/h8-10H,4-7,14H2,1-3H3
InChIKeySPEGFCTUSUAJKM-UHFFFAOYSA-N
XLogP2.04
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-aminoimidazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 67547014
tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate
CID 155194633
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110
tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 139409469
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
CID 11381565
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
CID 73013691
tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 69192840
tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
CID 11255100
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
CID 141417890
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate (CID 18969335) is tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cnc(N)c2)CC1.
What is the InChIKey of tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is SPEGFCTUSUAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-6-4-10(5-7-16)17-8-11(14)15-9-17/h8-10H,4-7,14H2,1-3H3.
What are the key properties of tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 18969335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).