3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine

C13H17N5 — CID 97165327

IUPAC3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1N1CCC[C@H](N)C1
InChIInChI=1S/C13H17N5/c14-9-4-3-7-18(8-9)13-12(15)16-10-5-1-2-6-11(10)17-13/h1-2,5-6,9H,3-4,7-8,14H2,(H2,15,16)/t9-/m0/s1
InChIKeyQVGZWEBJSHZMFM-VIFPVBQESA-N
MW243.31 g/mol
LogP1.14
Rot. Bonds1

About 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine

3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine (PubChem CID 97165327) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
PubChem CID97165327
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1N1CCC[C@H](N)C1
InChIInChI=1S/C13H17N5/c14-9-4-3-7-18(8-9)13-12(15)16-10-5-1-2-6-11(10)17-13/h1-2,5-6,9H,3-4,7-8,14H2,(H2,15,16)/t9-/m0/s1
InChIKeyQVGZWEBJSHZMFM-VIFPVBQESA-N
XLogP1.14
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine?
The IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine (CID 97165327) is 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine?
The canonical SMILES for 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine is Nc1nc2ccccc2nc1N1CCC[C@H](N)C1.
What is the InChIKey of 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine?
The InChIKey is QVGZWEBJSHZMFM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N5/c14-9-4-3-7-18(8-9)13-12(15)16-10-5-1-2-6-11(10)17-13/h1-2,5-6,9H,3-4,7-8,14H2,(H2,15,16)/t9-/m0/s1.
What are the key properties of 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine?
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine is sourced from PubChem (CID 97165327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).