6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde

C19H24N6O — CID 174585527

IUPAC6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde
SMILESO=CC1Nc2ncnc(N3CCC(NCCc4ccccc4)CC3)c2N1
InChIInChI=1S/C19H24N6O/c26-12-16-23-17-18(24-16)21-13-22-19(17)25-10-7-15(8-11-25)20-9-6-14-4-2-1-3-5-14/h1-5,12-13,15-16,20,23H,6-11H2,(H,21,22,24)
InChIKeyRZYRFZHXWAESQP-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.64
Rot. Bonds6

About 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde

6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde (PubChem CID 174585527) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde.

Molecular Properties

Compound Name6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde
PubChem CID174585527
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde
SMILESO=CC1Nc2ncnc(N3CCC(NCCc4ccccc4)CC3)c2N1
InChIInChI=1S/C19H24N6O/c26-12-16-23-17-18(24-16)21-13-22-19(17)25-10-7-15(8-11-25)20-9-6-14-4-2-1-3-5-14/h1-5,12-13,15-16,20,23H,6-11H2,(H,21,22,24)
InChIKeyRZYRFZHXWAESQP-UHFFFAOYSA-N
XLogP1.64
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde with MolForge

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Related Compounds

N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 72912791
1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138144
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
CID 26344248

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde?
The IUPAC name of 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde (CID 174585527) is 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde.
What is the SMILES notation for 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde?
The canonical SMILES for 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde is O=CC1Nc2ncnc(N3CCC(NCCc4ccccc4)CC3)c2N1.
What is the InChIKey of 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde?
The InChIKey is RZYRFZHXWAESQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-12-16-23-17-18(24-16)21-13-22-19(17)25-10-7-15(8-11-25)20-9-6-14-4-2-1-3-5-14/h1-5,12-13,15-16,20,23H,6-11H2,(H,21,22,24).
What are the key properties of 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde?
6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde has a molecular weight of 352.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylethylamino)piperidin-1-yl]-8,9-dihydro-7H-purine-8-carbaldehyde is sourced from PubChem (CID 174585527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).