7H-purin-8-yl piperazine-1-carboxylate

C10H12N6O2 — CID 172824654

IUPAC7H-purin-8-yl piperazine-1-carboxylate
SMILESO=C(Oc1nc2ncncc2[nH]1)N1CCNCC1
InChIInChI=1S/C10H12N6O2/c17-10(16-3-1-11-2-4-16)18-9-14-7-5-12-6-13-8(7)15-9/h5-6,11H,1-4H2,(H,12,13,14,15)
InChIKeyURSOJSRANNLHRT-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.24
Rot. Bonds1

About 7H-purin-8-yl piperazine-1-carboxylate

7H-purin-8-yl piperazine-1-carboxylate (PubChem CID 172824654) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 7H-purin-8-yl piperazine-1-carboxylate.

Molecular Properties

Compound Name7H-purin-8-yl piperazine-1-carboxylate
PubChem CID172824654
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name7H-purin-8-yl piperazine-1-carboxylate
SMILESO=C(Oc1nc2ncncc2[nH]1)N1CCNCC1
InChIInChI=1S/C10H12N6O2/c17-10(16-3-1-11-2-4-16)18-9-14-7-5-12-6-13-8(7)15-9/h5-6,11H,1-4H2,(H,12,13,14,15)
InChIKeyURSOJSRANNLHRT-UHFFFAOYSA-N
XLogP-0.24
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7H-purin-8-yl piperazine-1-carboxylate?
The IUPAC name of 7H-purin-8-yl piperazine-1-carboxylate (CID 172824654) is 7H-purin-8-yl piperazine-1-carboxylate.
What is the SMILES notation for 7H-purin-8-yl piperazine-1-carboxylate?
The canonical SMILES for 7H-purin-8-yl piperazine-1-carboxylate is O=C(Oc1nc2ncncc2[nH]1)N1CCNCC1.
What is the InChIKey of 7H-purin-8-yl piperazine-1-carboxylate?
The InChIKey is URSOJSRANNLHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c17-10(16-3-1-11-2-4-16)18-9-14-7-5-12-6-13-8(7)15-9/h5-6,11H,1-4H2,(H,12,13,14,15).
What are the key properties of 7H-purin-8-yl piperazine-1-carboxylate?
7H-purin-8-yl piperazine-1-carboxylate has a molecular weight of 248.25 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purin-8-yl piperazine-1-carboxylate is sourced from PubChem (CID 172824654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).