1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol

C11H16N6O — CID 114749498

IUPAC1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc(N)nc3nc[nH]c23)CCC1O
InChIInChI=1S/C11H16N6O/c1-6-4-17(3-2-7(6)18)10-8-9(14-5-13-8)15-11(12)16-10/h5-7,18H,2-4H2,1H3,(H3,12,13,14,15,16)
InChIKeyDFXIKDKBAOGUGC-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.14
Rot. Bonds1

About 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol

1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol (PubChem CID 114749498) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
PubChem CID114749498
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc(N)nc3nc[nH]c23)CCC1O
InChIInChI=1S/C11H16N6O/c1-6-4-17(3-2-7(6)18)10-8-9(14-5-13-8)15-11(12)16-10/h5-7,18H,2-4H2,1H3,(H3,12,13,14,15,16)
InChIKeyDFXIKDKBAOGUGC-UHFFFAOYSA-N
XLogP0.14
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
6-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-7H-purin-2-amine
CID 72902832
1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide
CID 103718742
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol (CID 114749498) is 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol is CC1CN(c2nc(N)nc3nc[nH]c23)CCC1O.
What is the InChIKey of 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol?
The InChIKey is DFXIKDKBAOGUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6-4-17(3-2-7(6)18)10-8-9(14-5-13-8)15-11(12)16-10/h5-7,18H,2-4H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol?
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol has a molecular weight of 248.29 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114749498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).