7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline

C26H30FN3O — CID 25168395

IUPAC7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2nccnc12
InChIInChI=1S/C26H30FN3O/c1-18(23-15-20(19-3-4-19)16-24-25(23)29-12-11-28-24)31-17-26(9-13-30(2)14-10-26)21-5-7-22(27)8-6-21/h5-8,11-12,15-16,18-19H,3-4,9-10,13-14,17H2,1-2H3
InChIKeyPPQNINSUGDSMKS-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.39
Rot. Bonds6

About 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline

7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline (PubChem CID 25168395) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline.

Molecular Properties

Compound Name7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
PubChem CID25168395
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC Name7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2nccnc12
InChIInChI=1S/C26H30FN3O/c1-18(23-15-20(19-3-4-19)16-24-25(23)29-12-11-28-24)31-17-26(9-13-30(2)14-10-26)21-5-7-22(27)8-6-21/h5-8,11-12,15-16,18-19H,3-4,9-10,13-14,17H2,1-2H3
InChIKeyPPQNINSUGDSMKS-UHFFFAOYSA-N
XLogP5.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline?
The IUPAC name of 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline (CID 25168395) is 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline.
What is the SMILES notation for 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline?
The canonical SMILES for 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2nccnc12.
What is the InChIKey of 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline?
The InChIKey is PPQNINSUGDSMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c1-18(23-15-20(19-3-4-19)16-24-25(23)29-12-11-28-24)31-17-26(9-13-30(2)14-10-26)21-5-7-22(27)8-6-21/h5-8,11-12,15-16,18-19H,3-4,9-10,13-14,17H2,1-2H3.
What are the key properties of 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline?
7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline has a molecular weight of 419.54 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline is sourced from PubChem (CID 25168395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).