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

C18H22FN3O — CID 165435345

IUPAC2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H22FN3O/c1-14-18(21-8-7-20-14)23-13-15-5-9-22(10-6-15)12-16-3-2-4-17(19)11-16/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3
InChIKeyRAJQHJSSYMWDCF-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.22
Rot. Bonds5

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

2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine (PubChem CID 165435345) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine.

Molecular Properties

Compound Name2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine
PubChem CID165435345
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H22FN3O/c1-14-18(21-8-7-20-14)23-13-15-5-9-22(10-6-15)12-16-3-2-4-17(19)11-16/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3
InChIKeyRAJQHJSSYMWDCF-UHFFFAOYSA-N
XLogP3.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The IUPAC name of 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine (CID 165435345) is 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine.
What is the SMILES notation for 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The canonical SMILES for 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine is Cc1nccnc1OCC1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The InChIKey is RAJQHJSSYMWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-14-18(21-8-7-20-14)23-13-15-5-9-22(10-6-15)12-16-3-2-4-17(19)11-16/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3.
What are the key properties of 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine has a molecular weight of 315.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine is sourced from PubChem (CID 165435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).