(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine

C14H18N4 — CID 129240529

IUPAC(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine
SMILESC[C@H]1C[C@@H](N)CN(c2cccc3nccnc23)C1
InChIInChI=1S/C14H18N4/c1-10-7-11(15)9-18(8-10)13-4-2-3-12-14(13)17-6-5-16-12/h2-6,10-11H,7-9,15H2,1H3/t10-,11+/m0/s1
InChIKeyMKOARONGGCZDLR-WDEREUQCSA-N
MW242.33 g/mol
LogP1.80
Rot. Bonds1

About (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine

(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine (PubChem CID 129240529) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine
PubChem CID129240529
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine
SMILESC[C@H]1C[C@@H](N)CN(c2cccc3nccnc23)C1
InChIInChI=1S/C14H18N4/c1-10-7-11(15)9-18(8-10)13-4-2-3-12-14(13)17-6-5-16-12/h2-6,10-11H,7-9,15H2,1H3/t10-,11+/m0/s1
InChIKeyMKOARONGGCZDLR-WDEREUQCSA-N
XLogP1.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine?
The IUPAC name of (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine (CID 129240529) is (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine.
What is the SMILES notation for (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine?
The canonical SMILES for (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine is C[C@H]1C[C@@H](N)CN(c2cccc3nccnc23)C1.
What is the InChIKey of (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine?
The InChIKey is MKOARONGGCZDLR-WDEREUQCSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-7-11(15)9-18(8-10)13-4-2-3-12-14(13)17-6-5-16-12/h2-6,10-11H,7-9,15H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine?
(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine is sourced from PubChem (CID 129240529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).