8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine

C16H26N6O — CID 91285974

IUPAC8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine
SMILESCOc1nc2c(N)ncnc2n1CCCCCN1CCCCC1
InChIInChI=1S/C16H26N6O/c1-23-16-20-13-14(17)18-12-19-15(13)22(16)11-7-3-6-10-21-8-4-2-5-9-21/h12H,2-11H2,1H3,(H2,17,18,19)
InChIKeyALZLXNOJRBFTJL-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.07
Rot. Bonds7

About 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine

8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine (PubChem CID 91285974) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine.

Molecular Properties

Compound Name8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine
PubChem CID91285974
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine
SMILESCOc1nc2c(N)ncnc2n1CCCCCN1CCCCC1
InChIInChI=1S/C16H26N6O/c1-23-16-20-13-14(17)18-12-19-15(13)22(16)11-7-3-6-10-21-8-4-2-5-9-21/h12H,2-11H2,1H3,(H2,17,18,19)
InChIKeyALZLXNOJRBFTJL-UHFFFAOYSA-N
XLogP2.07
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine?
The IUPAC name of 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine (CID 91285974) is 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine.
What is the SMILES notation for 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine?
The canonical SMILES for 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine is COc1nc2c(N)ncnc2n1CCCCCN1CCCCC1.
What is the InChIKey of 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine?
The InChIKey is ALZLXNOJRBFTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-23-16-20-13-14(17)18-12-19-15(13)22(16)11-7-3-6-10-21-8-4-2-5-9-21/h12H,2-11H2,1H3,(H2,17,18,19).
What are the key properties of 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine?
8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine has a molecular weight of 318.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine is sourced from PubChem (CID 91285974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).