N-methyl-1-(7H-purin-6-yl)piperidin-3-amine

C11H16N6 — CID 62545839

IUPACN-methyl-1-(7H-purin-6-yl)piperidin-3-amine
SMILESCNC1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C11H16N6/c1-12-8-3-2-4-17(5-8)11-9-10(14-6-13-9)15-7-16-11/h6-8,12H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyOLFVGKIYQJOFFN-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.54
Rot. Bonds2

About N-methyl-1-(7H-purin-6-yl)piperidin-3-amine

N-methyl-1-(7H-purin-6-yl)piperidin-3-amine (PubChem CID 62545839) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-1-(7H-purin-6-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(7H-purin-6-yl)piperidin-3-amine
PubChem CID62545839
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-methyl-1-(7H-purin-6-yl)piperidin-3-amine
SMILESCNC1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C11H16N6/c1-12-8-3-2-4-17(5-8)11-9-10(14-6-13-9)15-7-16-11/h6-8,12H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyOLFVGKIYQJOFFN-UHFFFAOYSA-N
XLogP0.54
TPSA69.73 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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7H-purin-6-yl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(7H-purin-6-yl)piperidin-3-amine (CID 62545839) is N-methyl-1-(7H-purin-6-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(7H-purin-6-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(7H-purin-6-yl)piperidin-3-amine is CNC1CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of N-methyl-1-(7H-purin-6-yl)piperidin-3-amine?
The InChIKey is OLFVGKIYQJOFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-12-8-3-2-4-17(5-8)11-9-10(14-6-13-9)15-7-16-11/h6-8,12H,2-5H2,1H3,(H,13,14,15,16).
What are the key properties of N-methyl-1-(7H-purin-6-yl)piperidin-3-amine?
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7H-purin-6-yl)piperidin-3-amine is sourced from PubChem (CID 62545839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).