1-(7H-purin-6-yl)piperidine-4-carbonitrile

C11H12N6 — CID 48933380

IUPAC1-(7H-purin-6-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H12N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-4H2,(H,13,14,15,16)
InChIKeyLAILSPVTRQPXNN-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.09
Rot. Bonds1

About 1-(7H-purin-6-yl)piperidine-4-carbonitrile

1-(7H-purin-6-yl)piperidine-4-carbonitrile (PubChem CID 48933380) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(7H-purin-6-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(7H-purin-6-yl)piperidine-4-carbonitrile
PubChem CID48933380
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-(7H-purin-6-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H12N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-4H2,(H,13,14,15,16)
InChIKeyLAILSPVTRQPXNN-UHFFFAOYSA-N
XLogP1.09
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperazin-1-yl)-7H-purine
CID 756701
N-cyclohexyl-7H-purin-6-amine
CID 658219
N,N-dibutyl-7H-purin-6-amine
CID 2155055
6-(pyrrolidin-1-yl)-9H-purine
CID 756690
1-[1-(9h-Purin-6-Yl)piperidin-4-Yl]methanamine
CID 11708454
1-(9H-purin-6-yl)piperidin-4-amine
CID 24701731
Adenine,N6-propyl
CID 2155040
9-butyl-6-(hexylamino)-9H-purine-2-carbonitrile
CID 24778050
6-(1,9-Diazaspiro[5.5]undecan-9-Yl)-9h-Purine
CID 70789254
6-(2,9-Diazaspiro[5.5]undecan-9-Yl)-9h-Purine
CID 70789255
N*6*-Cyclohexyl-N*2*-ethyl-9H-purine-2,6-diamine
CID 11334464
N-cyclopentyl-9H-purin-6-amine
CID 756681

Frequently Asked Questions

What is the IUPAC name of 1-(7H-purin-6-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(7H-purin-6-yl)piperidine-4-carbonitrile (CID 48933380) is 1-(7H-purin-6-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(7H-purin-6-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(7H-purin-6-yl)piperidine-4-carbonitrile is N#CC1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 1-(7H-purin-6-yl)piperidine-4-carbonitrile?
The InChIKey is LAILSPVTRQPXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-4H2,(H,13,14,15,16).
What are the key properties of 1-(7H-purin-6-yl)piperidine-4-carbonitrile?
1-(7H-purin-6-yl)piperidine-4-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-purin-6-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 48933380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).