4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine

C19H30N6O — CID 69090766

IUPAC4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine
SMILESCCCCCc1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
InChIInChI=1S/C19H30N6O/c1-2-3-4-5-16-22-18(24-10-12-26-13-11-24)17-19(23-16)25(14-21-17)15-6-8-20-9-7-15/h14-15,20H,2-13H2,1H3
InChIKeyCCUIQCZCHVUWOW-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.32
Rot. Bonds6

About 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine

4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine (PubChem CID 69090766) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine.

Molecular Properties

Compound Name4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine
PubChem CID69090766
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine
SMILESCCCCCc1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
InChIInChI=1S/C19H30N6O/c1-2-3-4-5-16-22-18(24-10-12-26-13-11-24)17-19(23-16)25(14-21-17)15-6-8-20-9-7-15/h14-15,20H,2-13H2,1H3
InChIKeyCCUIQCZCHVUWOW-UHFFFAOYSA-N
XLogP2.32
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.32
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 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine?
The IUPAC name of 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine (CID 69090766) is 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine.
What is the SMILES notation for 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine?
The canonical SMILES for 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine is CCCCCc1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1.
What is the InChIKey of 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine?
The InChIKey is CCUIQCZCHVUWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-2-3-4-5-16-22-18(24-10-12-26-13-11-24)17-19(23-16)25(14-21-17)15-6-8-20-9-7-15/h14-15,20H,2-13H2,1H3.
What are the key properties of 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine?
4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine has a molecular weight of 358.49 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine is sourced from PubChem (CID 69090766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).