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

C18H22FN3O — CID 165435344

IUPAC2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O/c1-14-18(21-9-8-20-14)23-13-16-6-10-22(11-7-16)12-15-2-4-17(19)5-3-15/h2-5,8-9,16H,6-7,10-13H2,1H3
InChIKeyABJDUGDWFDMUMH-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.22
Rot. Bonds5

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

2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine (PubChem CID 165435344) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine
PubChem CID165435344
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O/c1-14-18(21-9-8-20-14)23-13-16-6-10-22(11-7-16)12-15-2-4-17(19)5-3-15/h2-5,8-9,16H,6-7,10-13H2,1H3
InChIKeyABJDUGDWFDMUMH-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

Analyze 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine 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-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine (CID 165435344) is 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine is Cc1nccnc1OCC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The InChIKey is ABJDUGDWFDMUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-14-18(21-9-8-20-14)23-13-16-6-10-22(11-7-16)12-15-2-4-17(19)5-3-15/h2-5,8-9,16H,6-7,10-13H2,1H3.
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
2-[[1-[(4-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-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-methylpyrazine is sourced from PubChem (CID 165435344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).