4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline

C16H25N3 — CID 28796776

IUPAC4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline
SMILESCC1CCN(CCN2CCNc3ccccc32)CC1
InChIInChI=1S/C16H25N3/c1-14-6-9-18(10-7-14)12-13-19-11-8-17-15-4-2-3-5-16(15)19/h2-5,14,17H,6-13H2,1H3
InChIKeyOFSOUFZJCRBCTI-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.65
Rot. Bonds3

About 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline

4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline (PubChem CID 28796776) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline
PubChem CID28796776
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline
SMILESCC1CCN(CCN2CCNc3ccccc32)CC1
InChIInChI=1S/C16H25N3/c1-14-6-9-18(10-7-14)12-13-19-11-8-17-15-4-2-3-5-16(15)19/h2-5,14,17H,6-13H2,1H3
InChIKeyOFSOUFZJCRBCTI-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline (CID 28796776) is 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline is CC1CCN(CCN2CCNc3ccccc32)CC1.
What is the InChIKey of 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline?
The InChIKey is OFSOUFZJCRBCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-6-9-18(10-7-14)12-13-19-11-8-17-15-4-2-3-5-16(15)19/h2-5,14,17H,6-13H2,1H3.
What are the key properties of 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline?
4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline has a molecular weight of 259.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 28796776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).