9-(cyclopropylmethyl)-6-piperidin-1-ylpurine

C14H19N5 — CID 10634902

IUPAC9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
SMILESc1nc(N2CCCCC2)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C14H19N5/c1-2-6-18(7-3-1)13-12-14(16-9-15-13)19(10-17-12)8-11-4-5-11/h9-11H,1-8H2
InChIKeyDGZWZUWONIWIBS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.23
Rot. Bonds3

About 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine

9-(cyclopropylmethyl)-6-piperidin-1-ylpurine (PubChem CID 10634902) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
PubChem CID10634902
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
SMILESc1nc(N2CCCCC2)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C14H19N5/c1-2-6-18(7-3-1)13-12-14(16-9-15-13)19(10-17-12)8-11-4-5-11/h9-11H,1-8H2
InChIKeyDGZWZUWONIWIBS-UHFFFAOYSA-N
XLogP2.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine?
The IUPAC name of 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine (CID 10634902) is 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine.
What is the SMILES notation for 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine?
The canonical SMILES for 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine is c1nc(N2CCCCC2)c2ncn(CC3CC3)c2n1.
What is the InChIKey of 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine?
The InChIKey is DGZWZUWONIWIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-6-18(7-3-1)13-12-14(16-9-15-13)19(10-17-12)8-11-4-5-11/h9-11H,1-8H2.
What are the key properties of 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine?
9-(cyclopropylmethyl)-6-piperidin-1-ylpurine has a molecular weight of 257.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-6-piperidin-1-ylpurine is sourced from PubChem (CID 10634902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).