2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine

C16H27N3O — CID 64843335

IUPAC2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
SMILESCCC1CN(Cc2cccc(OC)n2)C(C)(CC)CN1
InChIInChI=1S/C16H27N3O/c1-5-13-10-19(16(3,6-2)12-17-13)11-14-8-7-9-15(18-14)20-4/h7-9,13,17H,5-6,10-12H2,1-4H3
InChIKeyIGUADXRXWTVIQL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds5

About 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine

2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine (PubChem CID 64843335) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
PubChem CID64843335
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
SMILESCCC1CN(Cc2cccc(OC)n2)C(C)(CC)CN1
InChIInChI=1S/C16H27N3O/c1-5-13-10-19(16(3,6-2)12-17-13)11-14-8-7-9-15(18-14)20-4/h7-9,13,17H,5-6,10-12H2,1-4H3
InChIKeyIGUADXRXWTVIQL-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine?
The IUPAC name of 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine (CID 64843335) is 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine?
The canonical SMILES for 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine is CCC1CN(Cc2cccc(OC)n2)C(C)(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine?
The InChIKey is IGUADXRXWTVIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-13-10-19(16(3,6-2)12-17-13)11-14-8-7-9-15(18-14)20-4/h7-9,13,17H,5-6,10-12H2,1-4H3.
What are the key properties of 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine?
2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 64843335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).