2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

C22H30FN3O2 — CID 22248471

IUPAC2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1nccnc1CN1CCC(COCc2ccccc2F)CC1
InChIInChI=1S/C22H30FN3O2/c1-22(2,3)28-21-20(24-10-11-25-21)14-26-12-8-17(9-13-26)15-27-16-18-6-4-5-7-19(18)23/h4-7,10-11,17H,8-9,12-16H2,1-3H3
InChIKeyBPKRQFUHGIYBMH-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.22
Rot. Bonds7

About 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 22248471) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID22248471
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1nccnc1CN1CCC(COCc2ccccc2F)CC1
InChIInChI=1S/C22H30FN3O2/c1-22(2,3)28-21-20(24-10-11-25-21)14-26-12-8-17(9-13-26)15-27-16-18-6-4-5-7-19(18)23/h4-7,10-11,17H,8-9,12-16H2,1-3H3
InChIKeyBPKRQFUHGIYBMH-UHFFFAOYSA-N
XLogP4.22
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine 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)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (CID 22248471) is 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is CC(C)(C)Oc1nccnc1CN1CCC(COCc2ccccc2F)CC1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is BPKRQFUHGIYBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-22(2,3)28-21-20(24-10-11-25-21)14-26-12-8-17(9-13-26)15-27-16-18-6-4-5-7-19(18)23/h4-7,10-11,17H,8-9,12-16H2,1-3H3.
What are the key properties of 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 387.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 22248471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).