7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline

C14H20BrN3 — CID 117031103

IUPAC7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESBrc1ccc2c(c1)NCCN2CC1CCNCC1
InChIInChI=1S/C14H20BrN3/c15-12-1-2-14-13(9-12)17-7-8-18(14)10-11-3-5-16-6-4-11/h1-2,9,11,16-17H,3-8,10H2
InChIKeyCSMRXAGRSHLCOS-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.68
Rot. Bonds2

About 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline

7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 117031103) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID117031103
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESBrc1ccc2c(c1)NCCN2CC1CCNCC1
InChIInChI=1S/C14H20BrN3/c15-12-1-2-14-13(9-12)17-7-8-18(14)10-11-3-5-16-6-4-11/h1-2,9,11,16-17H,3-8,10H2
InChIKeyCSMRXAGRSHLCOS-UHFFFAOYSA-N
XLogP2.68
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline (CID 117031103) is 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline is Brc1ccc2c(c1)NCCN2CC1CCNCC1.
What is the InChIKey of 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is CSMRXAGRSHLCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c15-12-1-2-14-13(9-12)17-7-8-18(14)10-11-3-5-16-6-4-11/h1-2,9,11,16-17H,3-8,10H2.
What are the key properties of 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline?
7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 310.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117031103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).