9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine

C18H22N6 — CID 71333200

IUPAC9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine
SMILESc1ccc(Cn2cnc3c(NCN4CCCCC4)ncnc32)cc1
InChIInChI=1S/C18H22N6/c1-3-7-15(8-4-1)11-24-14-21-16-17(19-12-20-18(16)24)22-13-23-9-5-2-6-10-23/h1,3-4,7-8,12,14H,2,5-6,9-11,13H2,(H,19,20,22)
InChIKeyCCZCUSWKVBEKTN-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.73
Rot. Bonds5

About 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine

9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine (PubChem CID 71333200) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine
PubChem CID71333200
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine
SMILESc1ccc(Cn2cnc3c(NCN4CCCCC4)ncnc32)cc1
InChIInChI=1S/C18H22N6/c1-3-7-15(8-4-1)11-24-14-21-16-17(19-12-20-18(16)24)22-13-23-9-5-2-6-10-23/h1,3-4,7-8,12,14H,2,5-6,9-11,13H2,(H,19,20,22)
InChIKeyCCZCUSWKVBEKTN-UHFFFAOYSA-N
XLogP2.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine?
The IUPAC name of 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine (CID 71333200) is 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine.
What is the SMILES notation for 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine?
The canonical SMILES for 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine is c1ccc(Cn2cnc3c(NCN4CCCCC4)ncnc32)cc1.
What is the InChIKey of 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine?
The InChIKey is CCZCUSWKVBEKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-3-7-15(8-4-1)11-24-14-21-16-17(19-12-20-18(16)24)22-13-23-9-5-2-6-10-23/h1,3-4,7-8,12,14H,2,5-6,9-11,13H2,(H,19,20,22).
What are the key properties of 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine?
9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine has a molecular weight of 322.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-N-(piperidin-1-ylmethyl)purin-6-amine is sourced from PubChem (CID 71333200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).