1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H20N6 — CID 141103907

IUPAC1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N6/c18-16-15-10-21-23(17(15)20-12-19-16)14-6-8-22(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,18,19,20)
InChIKeyWOEJZOOCHXOJHX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.25
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141103907) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141103907
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N6/c18-16-15-10-21-23(17(15)20-12-19-16)14-6-8-22(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,18,19,20)
InChIKeyWOEJZOOCHXOJHX-UHFFFAOYSA-N
XLogP2.25
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141186691
2-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 11555530
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141059458
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458330
1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 142657511
1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 156732671
4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 141218948
1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine
CID 21219154
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130775574
(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 10584870

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 141103907) is 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WOEJZOOCHXOJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c18-16-15-10-21-23(17(15)20-12-19-16)14-6-8-22(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,18,19,20).
What are the key properties of 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141103907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).