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

C17H29N3O — CID 64841495

IUPAC2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine
SMILESCCC1(CC)CNC(C)(C)CN1Cc1cccc(OC)n1
InChIInChI=1S/C17H29N3O/c1-6-17(7-2)12-18-16(3,4)13-20(17)11-14-9-8-10-15(19-14)21-5/h8-10,18H,6-7,11-13H2,1-5H3
InChIKeyAYOIOWRHOZSSPL-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.83
Rot. Bonds5

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

2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine (PubChem CID 64841495) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine
PubChem CID64841495
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine
SMILESCCC1(CC)CNC(C)(C)CN1Cc1cccc(OC)n1
InChIInChI=1S/C17H29N3O/c1-6-17(7-2)12-18-16(3,4)13-20(17)11-14-9-8-10-15(19-14)21-5/h8-10,18H,6-7,11-13H2,1-5H3
InChIKeyAYOIOWRHOZSSPL-UHFFFAOYSA-N
XLogP2.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine 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 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine (CID 64841495) is 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine is CCC1(CC)CNC(C)(C)CN1Cc1cccc(OC)n1.
What is the InChIKey of 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is AYOIOWRHOZSSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-17(7-2)12-18-16(3,4)13-20(17)11-14-9-8-10-15(19-14)21-5/h8-10,18H,6-7,11-13H2,1-5H3.
What are the key properties of 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine?
2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 291.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 64841495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).