4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline

C13H19N3 — CID 117030821

IUPAC4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)NCCN2C1CCCNC1
InChIInChI=1S/C13H19N3/c1-2-6-13-12(5-1)15-8-9-16(13)11-4-3-7-14-10-11/h1-2,5-6,11,14-15H,3-4,7-10H2
InChIKeyQUMMMDHJHOBZKX-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.67
Rot. Bonds1

About 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline

4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 117030821) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline
PubChem CID117030821
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)NCCN2C1CCCNC1
InChIInChI=1S/C13H19N3/c1-2-6-13-12(5-1)15-8-9-16(13)11-4-3-7-14-10-11/h1-2,5-6,11,14-15H,3-4,7-10H2
InChIKeyQUMMMDHJHOBZKX-UHFFFAOYSA-N
XLogP1.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2,3-dihydro-1H-quinoxaline
CID 71683750
4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 105470427
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride
CID 142652132
5,6,6a,7,8,9,10,11-octahydroazepino[1,2-a]quinoxaline
CID 10488339
4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol
CID 117030865
4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid
CID 117030843
5-(oxan-4-yl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851045
3-methyl-1-piperidin-3-yl-3,4-dihydro-2H-quinoline
CID 63524612
(4aS)-10-chloro-1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1,5]benzodiazepine
CID 71268113
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol
CID 145262182
1-(2-bromophenyl)-4-piperidin-3-ylpiperazine
CID 117026187

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline (CID 117030821) is 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline is c1ccc2c(c1)NCCN2C1CCCNC1.
What is the InChIKey of 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is QUMMMDHJHOBZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-6-13-12(5-1)15-8-9-16(13)11-4-3-7-14-10-11/h1-2,5-6,11,14-15H,3-4,7-10H2.
What are the key properties of 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline?
4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 217.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117030821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).