tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate

C17H24N4O2 — CID 165381985

IUPACtert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CCNCC2)c2ccc(N)cc21
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-14-10-12(18)4-5-13(14)15(20-21)11-6-8-19-9-7-11/h4-5,10-11,19H,6-9,18H2,1-3H3
InChIKeyGSZIWETZEDMHFB-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate

tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate (PubChem CID 165381985) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate
PubChem CID165381985
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Nametert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(C2CCNCC2)c2ccc(N)cc21
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-14-10-12(18)4-5-13(14)15(20-21)11-6-8-19-9-7-11/h4-5,10-11,19H,6-9,18H2,1-3H3
InChIKeyGSZIWETZEDMHFB-UHFFFAOYSA-N
XLogP2.87
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate?
The IUPAC name of tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate (CID 165381985) is tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate?
The canonical SMILES for tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(C2CCNCC2)c2ccc(N)cc21.
What is the InChIKey of tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate?
The InChIKey is GSZIWETZEDMHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-14-10-12(18)4-5-13(14)15(20-21)11-6-8-19-9-7-11/h4-5,10-11,19H,6-9,18H2,1-3H3.
What are the key properties of tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate?
tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate has a molecular weight of 316.41 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate is sourced from PubChem (CID 165381985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).