7-piperidin-4-yl-9H-purin-8-one;hydrochloride

C10H14ClN5O — CID 22293197

IUPAC7-piperidin-4-yl-9H-purin-8-one;hydrochloride
SMILESCl.O=c1[nH]c2ncncc2n1C1CCNCC1
InChIInChI=1S/C10H13N5O.ClH/c16-10-14-9-8(5-12-6-13-9)15(10)7-1-3-11-4-2-7;/h5-7,11H,1-4H2,(H,12,13,14,16);1H
InChIKeyCRKPPNYXPMDREG-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.47
Rot. Bonds1

About 7-piperidin-4-yl-9H-purin-8-one;hydrochloride

7-piperidin-4-yl-9H-purin-8-one;hydrochloride (PubChem CID 22293197) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 7-piperidin-4-yl-9H-purin-8-one;hydrochloride.

Molecular Properties

Compound Name7-piperidin-4-yl-9H-purin-8-one;hydrochloride
PubChem CID22293197
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name7-piperidin-4-yl-9H-purin-8-one;hydrochloride
SMILESCl.O=c1[nH]c2ncncc2n1C1CCNCC1
InChIInChI=1S/C10H13N5O.ClH/c16-10-14-9-8(5-12-6-13-9)15(10)7-1-3-11-4-2-7;/h5-7,11H,1-4H2,(H,12,13,14,16);1H
InChIKeyCRKPPNYXPMDREG-UHFFFAOYSA-N
XLogP0.47
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-9H-purin-8-one;hydrochloride?
The IUPAC name of 7-piperidin-4-yl-9H-purin-8-one;hydrochloride (CID 22293197) is 7-piperidin-4-yl-9H-purin-8-one;hydrochloride.
What is the SMILES notation for 7-piperidin-4-yl-9H-purin-8-one;hydrochloride?
The canonical SMILES for 7-piperidin-4-yl-9H-purin-8-one;hydrochloride is Cl.O=c1[nH]c2ncncc2n1C1CCNCC1.
What is the InChIKey of 7-piperidin-4-yl-9H-purin-8-one;hydrochloride?
The InChIKey is CRKPPNYXPMDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O.ClH/c16-10-14-9-8(5-12-6-13-9)15(10)7-1-3-11-4-2-7;/h5-7,11H,1-4H2,(H,12,13,14,16);1H.
What are the key properties of 7-piperidin-4-yl-9H-purin-8-one;hydrochloride?
7-piperidin-4-yl-9H-purin-8-one;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-9H-purin-8-one;hydrochloride is sourced from PubChem (CID 22293197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).