2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine

C18H31N5O — CID 56708850

IUPAC2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine
SMILESCOCCN1CCC(CN2CCN(c3nccnc3C)CC2)CC1
InChIInChI=1S/C18H31N5O/c1-16-18(20-6-5-19-16)23-11-9-22(10-12-23)15-17-3-7-21(8-4-17)13-14-24-2/h5-6,17H,3-4,7-15H2,1-2H3
InChIKeyGRUMRRBSNVZOSW-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.27
Rot. Bonds6

About 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine

2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine (PubChem CID 56708850) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine.

Molecular Properties

Compound Name2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine
PubChem CID56708850
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine
SMILESCOCCN1CCC(CN2CCN(c3nccnc3C)CC2)CC1
InChIInChI=1S/C18H31N5O/c1-16-18(20-6-5-19-16)23-11-9-22(10-12-23)15-17-3-7-21(8-4-17)13-14-24-2/h5-6,17H,3-4,7-15H2,1-2H3
InChIKeyGRUMRRBSNVZOSW-UHFFFAOYSA-N
XLogP1.27
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine?
The IUPAC name of 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine (CID 56708850) is 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine.
What is the SMILES notation for 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine?
The canonical SMILES for 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine is COCCN1CCC(CN2CCN(c3nccnc3C)CC2)CC1.
What is the InChIKey of 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine?
The InChIKey is GRUMRRBSNVZOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-16-18(20-6-5-19-16)23-11-9-22(10-12-23)15-17-3-7-21(8-4-17)13-14-24-2/h5-6,17H,3-4,7-15H2,1-2H3.
What are the key properties of 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine?
2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine has a molecular weight of 333.48 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-methylpyrazine is sourced from PubChem (CID 56708850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).