1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol

C12H17N5O2 — CID 138385634

IUPAC1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C12H17N5O2/c18-5-9(19)8-1-3-17(4-2-8)12-10-11(14-6-13-10)15-7-16-12/h6-9,18-19H,1-5H2,(H,13,14,15,16)
InChIKeyRPARBIVBMKOOCC-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.08
Rot. Bonds3

About 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol

1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol (PubChem CID 138385634) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
PubChem CID138385634
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C12H17N5O2/c18-5-9(19)8-1-3-17(4-2-8)12-10-11(14-6-13-10)15-7-16-12/h6-9,18-19H,1-5H2,(H,13,14,15,16)
InChIKeyRPARBIVBMKOOCC-UHFFFAOYSA-N
XLogP-0.08
TPSA98.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
CID 63854249
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
CID 133300022
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
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
3-ethylsulfanyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]propanamide
CID 71933356
2-[4-(7H-purin-6-yl)piperazin-1-yl]butanethioamide
CID 63342163

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol (CID 138385634) is 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol is OCC(O)C1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol?
The InChIKey is RPARBIVBMKOOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-5-9(19)8-1-3-17(4-2-8)12-10-11(14-6-13-10)15-7-16-12/h6-9,18-19H,1-5H2,(H,13,14,15,16).
What are the key properties of 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol?
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol has a molecular weight of 263.30 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 138385634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).