2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline

C17H22N4 — CID 63254716

IUPAC2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline
SMILESc1ccc2nc(N3CCCCC3C3CCCN3)cnc2c1
InChIInChI=1S/C17H22N4/c1-2-7-14-13(6-1)19-12-17(20-14)21-11-4-3-9-16(21)15-8-5-10-18-15/h1-2,6-7,12,15-16,18H,3-5,8-11H2
InChIKeyXOAZMEFIEGZWOT-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline

2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline (PubChem CID 63254716) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline
PubChem CID63254716
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline
SMILESc1ccc2nc(N3CCCCC3C3CCCN3)cnc2c1
InChIInChI=1S/C17H22N4/c1-2-7-14-13(6-1)19-12-17(20-14)21-11-4-3-9-16(21)15-8-5-10-18-15/h1-2,6-7,12,15-16,18H,3-5,8-11H2
InChIKeyXOAZMEFIEGZWOT-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]quinoxaline
CID 166266864
2-methoxy-6-(2-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 55214728
2-[2-(bromomethyl)azepan-1-yl]quinoxaline
CID 116638719
4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 63254204
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 55053823
2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107552499
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline
CID 97015354
2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 63254765
N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine
CID 55090959
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
CID 95342310
2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
CID 171085585

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline?
The IUPAC name of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline (CID 63254716) is 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline.
What is the SMILES notation for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline?
The canonical SMILES for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline is c1ccc2nc(N3CCCCC3C3CCCN3)cnc2c1.
What is the InChIKey of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline?
The InChIKey is XOAZMEFIEGZWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-7-14-13(6-1)19-12-17(20-14)21-11-4-3-9-16(21)15-8-5-10-18-15/h1-2,6-7,12,15-16,18H,3-5,8-11H2.
What are the key properties of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline?
2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline has a molecular weight of 282.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline is sourced from PubChem (CID 63254716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).