4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid

C12H17N7O2 — CID 91465620

IUPAC4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESNc1nc(NCC2CCN(C(=O)O)CC2)c2[nH]cnc2n1
InChIInChI=1S/C12H17N7O2/c13-11-17-9(8-10(18-11)16-6-15-8)14-5-7-1-3-19(4-2-7)12(20)21/h6-7H,1-5H2,(H,20,21)(H4,13,14,15,16,17,18)
InChIKeyIABZRQBEXYYEJV-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.74
Rot. Bonds3

About 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid

4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 91465620) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID91465620
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESNc1nc(NCC2CCN(C(=O)O)CC2)c2[nH]cnc2n1
InChIInChI=1S/C12H17N7O2/c13-11-17-9(8-10(18-11)16-6-15-8)14-5-7-1-3-19(4-2-7)12(20)21/h6-7H,1-5H2,(H,20,21)(H4,13,14,15,16,17,18)
InChIKeyIABZRQBEXYYEJV-UHFFFAOYSA-N
XLogP0.74
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperazinecarboxylic acid, 4-(1H-purin-6-yl)-, ethyl ester
CID 2155070
1-[1-(9h-Purin-6-Yl)piperidin-4-Yl]methanamine
CID 11708454
1-(9H-purin-6-yl)piperidin-4-amine
CID 24701731
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
6-(piperidin-1-yl)-9H-purine
CID 3129049
[3-(4-Ethylpiperazinyl)propyl]purin-6-ylamine
CID 2155089
ethyl 1-(7H-purin-6-yl)piperidine-4-carboxylate
CID 2155061
8-piperidin-1-yl-7H-purin-6-amine
CID 409512
6-(4-Methylpiperidin-1-yl)-9H-purine
CID 756692
1-cyclohexyl-3-(7H-purin-6-yl)urea
CID 3815754
6-(2,9-Diazaspiro[5.5]undecan-2-Yl)-9h-Purine
CID 70789256

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid (CID 91465620) is 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid is Nc1nc(NCC2CCN(C(=O)O)CC2)c2[nH]cnc2n1.
What is the InChIKey of 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is IABZRQBEXYYEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c13-11-17-9(8-10(18-11)16-6-15-8)14-5-7-1-3-19(4-2-7)12(20)21/h6-7H,1-5H2,(H,20,21)(H4,13,14,15,16,17,18).
What are the key properties of 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91465620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).