2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

C23H33N3O2 — CID 174479392

IUPAC2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCOC1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O2/c1-22(2,3)28-21-20(24-14-15-25-21)18-26-16-12-23(27-4,13-17-26)11-10-19-8-6-5-7-9-19/h5-9,14-15H,10-13,16-18H2,1-4H3
InChIKeyLXCSOQFRGCWPIL-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.27
Rot. Bonds7

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

2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 174479392) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID174479392
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCOC1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O2/c1-22(2,3)28-21-20(24-14-15-25-21)18-26-16-12-23(27-4,13-17-26)11-10-19-8-6-5-7-9-19/h5-9,14-15H,10-13,16-18H2,1-4H3
InChIKeyLXCSOQFRGCWPIL-UHFFFAOYSA-N
XLogP4.27
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (CID 174479392) is 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is COC1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1.
What is the InChIKey of 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is LXCSOQFRGCWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-22(2,3)28-21-20(24-14-15-25-21)18-26-16-12-23(27-4,13-17-26)11-10-19-8-6-5-7-9-19/h5-9,14-15H,10-13,16-18H2,1-4H3.
What are the key properties of 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 383.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-4-(2-phenylethyl)piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 174479392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).