6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine

C21H22F2N4 — CID 166363927

IUPAC6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine
SMILESCN1CCC(CNc2cnc3cc(F)c(F)cc3n2)(c2ccccc2)CC1
InChIInChI=1S/C21H22F2N4/c1-27-9-7-21(8-10-27,15-5-3-2-4-6-15)14-25-20-13-24-18-11-16(22)17(23)12-19(18)26-20/h2-6,11-13H,7-10,14H2,1H3,(H,25,26)
InChIKeyZXDYCBXJXOXGFG-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.98
Rot. Bonds4

About 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine

6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine (PubChem CID 166363927) has the molecular formula C21H22F2N4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine
PubChem CID166363927
Molecular FormulaC21H22F2N4
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine
SMILESCN1CCC(CNc2cnc3cc(F)c(F)cc3n2)(c2ccccc2)CC1
InChIInChI=1S/C21H22F2N4/c1-27-9-7-21(8-10-27,15-5-3-2-4-6-15)14-25-20-13-24-18-11-16(22)17(23)12-19(18)26-20/h2-6,11-13H,7-10,14H2,1H3,(H,25,26)
InChIKeyZXDYCBXJXOXGFG-UHFFFAOYSA-N
XLogP3.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine?
The IUPAC name of 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine (CID 166363927) is 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine is CN1CCC(CNc2cnc3cc(F)c(F)cc3n2)(c2ccccc2)CC1.
What is the InChIKey of 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine?
The InChIKey is ZXDYCBXJXOXGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4/c1-27-9-7-21(8-10-27,15-5-3-2-4-6-15)14-25-20-13-24-18-11-16(22)17(23)12-19(18)26-20/h2-6,11-13H,7-10,14H2,1H3,(H,25,26).
What are the key properties of 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine?
6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine has a molecular weight of 368.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 166363927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).