2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine

C18H22FN3O2 — CID 22248527

IUPAC2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine
SMILESCOc1nccnc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C18H22FN3O2/c1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyMCQAXKLIMFRJMI-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.81
Rot. Bonds6

About 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine

2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine (PubChem CID 22248527) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine
PubChem CID22248527
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine
SMILESCOc1nccnc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C18H22FN3O2/c1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyMCQAXKLIMFRJMI-UHFFFAOYSA-N
XLogP2.81
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine (CID 22248527) is 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine is COc1nccnc1CN1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine?
The InChIKey is MCQAXKLIMFRJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-5,8-9,15H,6-7,10-13H2,1H3.
What are the key properties of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine?
2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine has a molecular weight of 331.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine is sourced from PubChem (CID 22248527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).