(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol

C15H23N7O — CID 95886653

IUPAC(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol
SMILESO[C@]1(CN2CCN(c3ncnc4nc[nH]c34)CC2)CCCNC1
InChIInChI=1S/C15H23N7O/c23-15(2-1-3-16-8-15)9-21-4-6-22(7-5-21)14-12-13(18-10-17-12)19-11-20-14/h10-11,16,23H,1-9H2,(H,17,18,19,20)/t15-/m1/s1
InChIKeyYDRBLFFIBNIZDS-OAHLLOKOSA-N
MW317.40 g/mol
LogP-0.41
Rot. Bonds3

About (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol

(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol (PubChem CID 95886653) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol
PubChem CID95886653
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol
SMILESO[C@]1(CN2CCN(c3ncnc4nc[nH]c34)CC2)CCCNC1
InChIInChI=1S/C15H23N7O/c23-15(2-1-3-16-8-15)9-21-4-6-22(7-5-21)14-12-13(18-10-17-12)19-11-20-14/h10-11,16,23H,1-9H2,(H,17,18,19,20)/t15-/m1/s1
InChIKeyYDRBLFFIBNIZDS-OAHLLOKOSA-N
XLogP-0.41
TPSA93.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 70789255
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol
CID 70729852
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
CID 43252544
6-(4-benzyl-1,4-diazepan-1-yl)-7H-purine
CID 44776748
6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
CID 166304856
methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
CID 133481023
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-[4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-7H-purine
CID 77087305
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol (CID 95886653) is (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol is O[C@]1(CN2CCN(c3ncnc4nc[nH]c34)CC2)CCCNC1.
What is the InChIKey of (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The InChIKey is YDRBLFFIBNIZDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N7O/c23-15(2-1-3-16-8-15)9-21-4-6-22(7-5-21)14-12-13(18-10-17-12)19-11-20-14/h10-11,16,23H,1-9H2,(H,17,18,19,20)/t15-/m1/s1.
What are the key properties of (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol?
(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol has a molecular weight of 317.40 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 95886653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).