6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde

C11H15N5O2 — CID 174585429

IUPAC6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde
SMILESO=CC1Nc2ncnc(N3CCC(O)CC3)c2N1
InChIInChI=1S/C11H15N5O2/c17-5-8-14-9-10(15-8)12-6-13-11(9)16-3-1-7(18)2-4-16/h5-8,14,18H,1-4H2,(H,12,13,15)
InChIKeyZTWZHSLEXVGNLI-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.20
Rot. Bonds2

About 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde

6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde (PubChem CID 174585429) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde.

Molecular Properties

Compound Name6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde
PubChem CID174585429
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde
SMILESO=CC1Nc2ncnc(N3CCC(O)CC3)c2N1
InChIInChI=1S/C11H15N5O2/c17-5-8-14-9-10(15-8)12-6-13-11(9)16-3-1-7(18)2-4-16/h5-8,14,18H,1-4H2,(H,12,13,15)
InChIKeyZTWZHSLEXVGNLI-UHFFFAOYSA-N
XLogP-0.20
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde
CID 174585527
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
5-amino-3-(4-hydroxypiperidin-1-yl)-1,2-oxazole-4-carbonitrile
CID 102795780
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
CID 153366942
4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 91381525
5-(4-hydroxypiperidin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one
CID 75465224
1-(1H-imidazol-2-yl)piperidin-4-ol
CID 130831688
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]azetidin-3-ol
CID 167818943
6-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134794176
1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 114203358

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde?
The IUPAC name of 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde (CID 174585429) is 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde.
What is the SMILES notation for 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde?
The canonical SMILES for 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde is O=CC1Nc2ncnc(N3CCC(O)CC3)c2N1.
What is the InChIKey of 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde?
The InChIKey is ZTWZHSLEXVGNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-5-8-14-9-10(15-8)12-6-13-11(9)16-3-1-7(18)2-4-16/h5-8,14,18H,1-4H2,(H,12,13,15).
What are the key properties of 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde?
6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde has a molecular weight of 249.27 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidin-1-yl)-8,9-dihydro-7H-purine-8-carbaldehyde is sourced from PubChem (CID 174585429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).