6-piperidin-1-yl-7H-purine

C10H13N5 — CID 3129049

IUPAC6-piperidin-1-yl-7H-purine
SMILESc1nc(N2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5/c1-2-4-15(5-3-1)10-8-9(12-6-11-8)13-7-14-10/h6-7H,1-5H2,(H,11,12,13,14)
InChIKeyOXCZAXJFRBPQRP-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.34
Rot. Bonds1

About 6-piperidin-1-yl-7H-purine

6-piperidin-1-yl-7H-purine (PubChem CID 3129049) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-piperidin-1-yl-7H-purine.

Molecular Properties

Compound Name6-piperidin-1-yl-7H-purine
PubChem CID3129049
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name6-piperidin-1-yl-7H-purine
SMILESc1nc(N2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5/c1-2-4-15(5-3-1)10-8-9(12-6-11-8)13-7-14-10/h6-7H,1-5H2,(H,11,12,13,14)
InChIKeyOXCZAXJFRBPQRP-UHFFFAOYSA-N
XLogP1.34
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-7H-purine?
The IUPAC name of 6-piperidin-1-yl-7H-purine (CID 3129049) is 6-piperidin-1-yl-7H-purine.
What is the SMILES notation for 6-piperidin-1-yl-7H-purine?
The canonical SMILES for 6-piperidin-1-yl-7H-purine is c1nc(N2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-piperidin-1-yl-7H-purine?
The InChIKey is OXCZAXJFRBPQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-4-15(5-3-1)10-8-9(12-6-11-8)13-7-14-10/h6-7H,1-5H2,(H,11,12,13,14).
What are the key properties of 6-piperidin-1-yl-7H-purine?
6-piperidin-1-yl-7H-purine has a molecular weight of 203.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-7H-purine is sourced from PubChem (CID 3129049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).