9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine

C11H16N6 — CID 68898401

IUPAC9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
SMILESNc1ncc2ncn(C[C@@H]3CCCNC3)c2n1
InChIInChI=1S/C11H16N6/c12-11-14-5-9-10(16-11)17(7-15-9)6-8-2-1-3-13-4-8/h5,7-8,13H,1-4,6H2,(H2,12,14,16)/t8-/m1/s1
InChIKeyZGWDSZNZWSXZAE-MRVPVSSYSA-N
MW232.29 g/mol
LogP0.41
Rot. Bonds2

About 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine

9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine (PubChem CID 68898401) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine.

Molecular Properties

Compound Name9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
PubChem CID68898401
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
SMILESNc1ncc2ncn(C[C@@H]3CCCNC3)c2n1
InChIInChI=1S/C11H16N6/c12-11-14-5-9-10(16-11)17(7-15-9)6-8-2-1-3-13-4-8/h5,7-8,13H,1-4,6H2,(H2,12,14,16)/t8-/m1/s1
InChIKeyZGWDSZNZWSXZAE-MRVPVSSYSA-N
XLogP0.41
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
1-(piperidin-3-ylmethyl)benzimidazol-5-ol
CID 84794554
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263974
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
3-(tetrazol-1-ylmethyl)piperidine
CID 82512096
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
CID 121210532

Frequently Asked Questions

What is the IUPAC name of 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?
The IUPAC name of 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine (CID 68898401) is 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine.
What is the SMILES notation for 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?
The canonical SMILES for 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine is Nc1ncc2ncn(C[C@@H]3CCCNC3)c2n1.
What is the InChIKey of 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?
The InChIKey is ZGWDSZNZWSXZAE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N6/c12-11-14-5-9-10(16-11)17(7-15-9)6-8-2-1-3-13-4-8/h5,7-8,13H,1-4,6H2,(H2,12,14,16)/t8-/m1/s1.
What are the key properties of 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine?
9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine is sourced from PubChem (CID 68898401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).