(3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol

C17H22N4O — CID 146039078

IUPAC(3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(c2cnc3ccccc3n2)C[C@@H]1N1CCCCC1
InChIInChI=1S/C17H22N4O/c22-16-12-21(11-15(16)20-8-4-1-5-9-20)17-10-18-13-6-2-3-7-14(13)19-17/h2-3,6-7,10,15-16,22H,1,4-5,8-9,11-12H2/t15-,16-/m0/s1
InChIKeyHOUHATXLIPXRFY-HOTGVXAUSA-N
MW298.39 g/mol
LogP1.67
Rot. Bonds2

About (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol

(3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol (PubChem CID 146039078) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol
PubChem CID146039078
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(c2cnc3ccccc3n2)C[C@@H]1N1CCCCC1
InChIInChI=1S/C17H22N4O/c22-16-12-21(11-15(16)20-8-4-1-5-9-20)17-10-18-13-6-2-3-7-14(13)19-17/h2-3,6-7,10,15-16,22H,1,4-5,8-9,11-12H2/t15-,16-/m0/s1
InChIKeyHOUHATXLIPXRFY-HOTGVXAUSA-N
XLogP1.67
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol (CID 146039078) is (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol is O[C@H]1CN(c2cnc3ccccc3n2)C[C@@H]1N1CCCCC1.
What is the InChIKey of (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol?
The InChIKey is HOUHATXLIPXRFY-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H22N4O/c22-16-12-21(11-15(16)20-8-4-1-5-9-20)17-10-18-13-6-2-3-7-14(13)19-17/h2-3,6-7,10,15-16,22H,1,4-5,8-9,11-12H2/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol?
(3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol has a molecular weight of 298.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-piperidin-1-yl-1-quinoxalin-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 146039078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).