tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate

C15H22N6O2 — CID 11381565

IUPACtert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc3cnc(N)nc32)CC1
InChIInChI=1S/C15H22N6O2/c1-15(2,3)23-14(22)20-6-4-10(5-7-20)21-9-18-11-8-17-13(16)19-12(11)21/h8-10H,4-7H2,1-3H3,(H2,16,17,19)
InChIKeyVBPHOLZVNRRPHX-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.98
Rot. Bonds1

About tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate

tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate (PubChem CID 11381565) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
PubChem CID11381565
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Nametert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc3cnc(N)nc32)CC1
InChIInChI=1S/C15H22N6O2/c1-15(2,3)23-14(22)20-6-4-10(5-7-20)21-9-18-11-8-17-13(16)19-12(11)21/h8-10H,4-7H2,1-3H3,(H2,16,17,19)
InChIKeyVBPHOLZVNRRPHX-UHFFFAOYSA-N
XLogP1.98
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate (CID 11381565) is tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cnc3cnc(N)nc32)CC1.
What is the InChIKey of tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate?
The InChIKey is VBPHOLZVNRRPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-15(2,3)23-14(22)20-6-4-10(5-7-20)21-9-18-11-8-17-13(16)19-12(11)21/h8-10H,4-7H2,1-3H3,(H2,16,17,19).
What are the key properties of tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate is sourced from PubChem (CID 11381565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).