1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine

C14H21N7 — CID 80553426

IUPAC1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ncnc4nc[nH]c34)C2)CC1
InChIInChI=1S/C14H21N7/c15-10-1-4-20(5-2-10)11-3-6-21(7-11)14-12-13(17-8-16-12)18-9-19-14/h8-11H,1-7,15H2,(H,16,17,18,19)
InChIKeyKMEFZPQBVDJVMA-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.35
Rot. Bonds2

About 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553426) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553426
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ncnc4nc[nH]c34)C2)CC1
InChIInChI=1S/C14H21N7/c15-10-1-4-20(5-2-10)11-3-6-21(7-11)14-12-13(17-8-16-12)18-9-19-14/h8-11H,1-7,15H2,(H,16,17,18,19)
InChIKeyKMEFZPQBVDJVMA-UHFFFAOYSA-N
XLogP0.35
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 146128239
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553204
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine
CID 94022802
6-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-7H-purine
CID 167781309
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553426) is 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(c3ncnc4nc[nH]c34)C2)CC1.
What is the InChIKey of 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is KMEFZPQBVDJVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c15-10-1-4-20(5-2-10)11-3-6-21(7-11)14-12-13(17-8-16-12)18-9-19-14/h8-11H,1-7,15H2,(H,16,17,18,19).
What are the key properties of 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).