6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine

C13H19N5O — CID 166246145

IUPAC6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
SMILESCOCCC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C13H19N5O/c1-19-7-4-10-2-5-18(6-3-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyJUQPYQLKMLKIIR-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.61
Rot. Bonds4

About 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine

6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine (PubChem CID 166246145) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
PubChem CID166246145
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
SMILESCOCCC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C13H19N5O/c1-19-7-4-10-2-5-18(6-3-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyJUQPYQLKMLKIIR-UHFFFAOYSA-N
XLogP1.61
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 146128239
6-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-7H-purine
CID 67232922
(3S)-N-(2-methoxyethyl)-1-[1-(7H-purin-6-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95552824
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
CID 133300022
5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941163
N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
CID 63854249
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
CID 756697

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine?
The IUPAC name of 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine (CID 166246145) is 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine is COCCC1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine?
The InChIKey is JUQPYQLKMLKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-19-7-4-10-2-5-18(6-3-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,2-7H2,1H3,(H,14,15,16,17).
What are the key properties of 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine?
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine has a molecular weight of 261.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine is sourced from PubChem (CID 166246145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).