(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol

C16H22N4O — CID 98763653

IUPAC(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2cnc3ccccc3n2)C[C@@H]1C
InChIInChI=1S/C16H22N4O/c1-12-10-20(8-7-19(12)11-13(2)21)16-9-17-14-5-3-4-6-15(14)18-16/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyKJQDZROGKDMIOC-STQMWFEESA-N
MW286.38 g/mol
LogP1.52
Rot. Bonds3

About (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol

(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol (PubChem CID 98763653) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
PubChem CID98763653
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2cnc3ccccc3n2)C[C@@H]1C
InChIInChI=1S/C16H22N4O/c1-12-10-20(8-7-19(12)11-13(2)21)16-9-17-14-5-3-4-6-15(14)18-16/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyKJQDZROGKDMIOC-STQMWFEESA-N
XLogP1.52
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol (CID 98763653) is (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(c2cnc3ccccc3n2)C[C@@H]1C.
What is the InChIKey of (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol?
The InChIKey is KJQDZROGKDMIOC-STQMWFEESA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-10-20(8-7-19(12)11-13(2)21)16-9-17-14-5-3-4-6-15(14)18-16/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol?
(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 98763653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).