1-(7H-purin-6-yl)piperidin-4-amine

C10H14N6 — CID 24701731

IUPAC1-(7H-purin-6-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)
InChIKeyHPTRRFNSSSRNEL-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.28
Rot. Bonds1

About 1-(7H-purin-6-yl)piperidin-4-amine

1-(7H-purin-6-yl)piperidin-4-amine (PubChem CID 24701731) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(7H-purin-6-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(7H-purin-6-yl)piperidin-4-amine
PubChem CID24701731
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-(7H-purin-6-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)
InChIKeyHPTRRFNSSSRNEL-UHFFFAOYSA-N
XLogP0.28
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7H-purin-6-yl)piperidin-4-amine?
The IUPAC name of 1-(7H-purin-6-yl)piperidin-4-amine (CID 24701731) is 1-(7H-purin-6-yl)piperidin-4-amine.
What is the SMILES notation for 1-(7H-purin-6-yl)piperidin-4-amine?
The canonical SMILES for 1-(7H-purin-6-yl)piperidin-4-amine is NC1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 1-(7H-purin-6-yl)piperidin-4-amine?
The InChIKey is HPTRRFNSSSRNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15).
What are the key properties of 1-(7H-purin-6-yl)piperidin-4-amine?
1-(7H-purin-6-yl)piperidin-4-amine has a molecular weight of 218.26 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-purin-6-yl)piperidin-4-amine is sourced from PubChem (CID 24701731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).