8-(3-propylpiperidin-3-yl)-7H-purine

C13H19N5 — CID 114402001

IUPAC8-(3-propylpiperidin-3-yl)-7H-purine
SMILESCCCC1(c2nc3ncncc3[nH]2)CCCNC1
InChIInChI=1S/C13H19N5/c1-2-4-13(5-3-6-14-8-13)12-17-10-7-15-9-16-11(10)18-12/h7,9,14H,2-6,8H2,1H3,(H,15,16,17,18)
InChIKeyJRHHZYMXRLTZBV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.77
Rot. Bonds3

About 8-(3-propylpiperidin-3-yl)-7H-purine

8-(3-propylpiperidin-3-yl)-7H-purine (PubChem CID 114402001) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 8-(3-propylpiperidin-3-yl)-7H-purine.

Molecular Properties

Compound Name8-(3-propylpiperidin-3-yl)-7H-purine
PubChem CID114402001
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name8-(3-propylpiperidin-3-yl)-7H-purine
SMILESCCCC1(c2nc3ncncc3[nH]2)CCCNC1
InChIInChI=1S/C13H19N5/c1-2-4-13(5-3-6-14-8-13)12-17-10-7-15-9-16-11(10)18-12/h7,9,14H,2-6,8H2,1H3,(H,15,16,17,18)
InChIKeyJRHHZYMXRLTZBV-UHFFFAOYSA-N
XLogP1.77
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-propylpiperidin-3-yl)-7H-purin-6-amine
CID 114607967
2-(3-propylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820861
2-(4-propylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 63125111
5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole
CID 82001516
2-(3-propylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 113392364
2-(3-ethylpiperidin-3-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82000708
N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine
CID 114401934
[1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexyl]methanamine
CID 115436274
3-(3-propylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 63137902
1-(7H-purin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 114401818
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
CID 102696219

Frequently Asked Questions

What is the IUPAC name of 8-(3-propylpiperidin-3-yl)-7H-purine?
The IUPAC name of 8-(3-propylpiperidin-3-yl)-7H-purine (CID 114402001) is 8-(3-propylpiperidin-3-yl)-7H-purine.
What is the SMILES notation for 8-(3-propylpiperidin-3-yl)-7H-purine?
The canonical SMILES for 8-(3-propylpiperidin-3-yl)-7H-purine is CCCC1(c2nc3ncncc3[nH]2)CCCNC1.
What is the InChIKey of 8-(3-propylpiperidin-3-yl)-7H-purine?
The InChIKey is JRHHZYMXRLTZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-4-13(5-3-6-14-8-13)12-17-10-7-15-9-16-11(10)18-12/h7,9,14H,2-6,8H2,1H3,(H,15,16,17,18).
What are the key properties of 8-(3-propylpiperidin-3-yl)-7H-purine?
8-(3-propylpiperidin-3-yl)-7H-purine has a molecular weight of 245.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-propylpiperidin-3-yl)-7H-purine is sourced from PubChem (CID 114402001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).