7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline

C26H30FN3O — CID 68842768

IUPAC7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline
SMILESFc1ccc(CC2(COCCc3cc(C4CC4)cc4nccnc34)CCNCC2)cc1
InChIInChI=1S/C26H30FN3O/c27-23-5-1-19(2-6-23)17-26(8-10-28-11-9-26)18-31-14-7-21-15-22(20-3-4-20)16-24-25(21)30-13-12-29-24/h1-2,5-6,12-13,15-16,20,28H,3-4,7-11,14,17-18H2
InChIKeyDWWLDEUGFWMAOX-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.82
Rot. Bonds8

About 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline

7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline (PubChem CID 68842768) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline.

Molecular Properties

Compound Name7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline
PubChem CID68842768
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC Name7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline
SMILESFc1ccc(CC2(COCCc3cc(C4CC4)cc4nccnc34)CCNCC2)cc1
InChIInChI=1S/C26H30FN3O/c27-23-5-1-19(2-6-23)17-26(8-10-28-11-9-26)18-31-14-7-21-15-22(20-3-4-20)16-24-25(21)30-13-12-29-24/h1-2,5-6,12-13,15-16,20,28H,3-4,7-11,14,17-18H2
InChIKeyDWWLDEUGFWMAOX-UHFFFAOYSA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline?
The IUPAC name of 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline (CID 68842768) is 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline.
What is the SMILES notation for 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline?
The canonical SMILES for 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline is Fc1ccc(CC2(COCCc3cc(C4CC4)cc4nccnc34)CCNCC2)cc1.
What is the InChIKey of 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline?
The InChIKey is DWWLDEUGFWMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c27-23-5-1-19(2-6-23)17-26(8-10-28-11-9-26)18-31-14-7-21-15-22(20-3-4-20)16-24-25(21)30-13-12-29-24/h1-2,5-6,12-13,15-16,20,28H,3-4,7-11,14,17-18H2.
What are the key properties of 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline?
7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline has a molecular weight of 419.54 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-[2-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]ethyl]quinoxaline is sourced from PubChem (CID 68842768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).