[1-(7H-purin-6-yl)piperidin-4-yl]methanamine

C11H16N6 — CID 11708454

IUPAC[1-(7H-purin-6-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5,12H2,(H,13,14,15,16)
InChIKeyZUPAKXAQBFFNRP-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.53
Rot. Bonds2

About [1-(7H-purin-6-yl)piperidin-4-yl]methanamine

[1-(7H-purin-6-yl)piperidin-4-yl]methanamine (PubChem CID 11708454) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is [1-(7H-purin-6-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(7H-purin-6-yl)piperidin-4-yl]methanamine
PubChem CID11708454
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name[1-(7H-purin-6-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5,12H2,(H,13,14,15,16)
InChIKeyZUPAKXAQBFFNRP-UHFFFAOYSA-N
XLogP0.53
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(7H-purin-6-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(7H-purin-6-yl)piperidin-4-yl]methanamine (CID 11708454) is [1-(7H-purin-6-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(7H-purin-6-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(7H-purin-6-yl)piperidin-4-yl]methanamine is NCC1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of [1-(7H-purin-6-yl)piperidin-4-yl]methanamine?
The InChIKey is ZUPAKXAQBFFNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5,12H2,(H,13,14,15,16).
What are the key properties of [1-(7H-purin-6-yl)piperidin-4-yl]methanamine?
[1-(7H-purin-6-yl)piperidin-4-yl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7H-purin-6-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 11708454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).