3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine

C16H22N4O — CID 79737038

IUPAC3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine
SMILESNCCCOC1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H22N4O/c17-8-3-11-21-13-6-9-20(10-7-13)16-12-18-14-4-1-2-5-15(14)19-16/h1-2,4-5,12-13H,3,6-11,17H2
InChIKeyJCERNPRDHNOYCP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds5

About 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine

3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine (PubChem CID 79737038) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine
PubChem CID79737038
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine
SMILESNCCCOC1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H22N4O/c17-8-3-11-21-13-6-9-20(10-7-13)16-12-18-14-4-1-2-5-15(14)19-16/h1-2,4-5,12-13H,3,6-11,17H2
InChIKeyJCERNPRDHNOYCP-UHFFFAOYSA-N
XLogP1.96
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-quinoxalin-2-ylpiperidin-4-yl)oxyethanamine
CID 82692840
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine
CID 79734904
3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
CID 79737048
2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 107875698
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 82692276
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
2-[1-(6-ethoxypyrazin-2-yl)piperidin-4-yl]oxyethanamine
CID 82693310
2-[6-[4-(4-fluorobutoxy)piperidin-1-yl]-3-pyridinyl]-1,3-benzothiazole
CID 146171943

Frequently Asked Questions

What is the IUPAC name of 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine?
The IUPAC name of 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine (CID 79737038) is 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine?
The canonical SMILES for 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine is NCCCOC1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine?
The InChIKey is JCERNPRDHNOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-8-3-11-21-13-6-9-20(10-7-13)16-12-18-14-4-1-2-5-15(14)19-16/h1-2,4-5,12-13H,3,6-11,17H2.
What are the key properties of 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine?
3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 79737038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).