2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine

C17H29N3O — CID 64861386

IUPAC2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1cccc(OC)n1
InChIInChI=1S/C17H29N3O/c1-5-15-11-18-17(6-2,7-3)13-20(15)12-14-9-8-10-16(19-14)21-4/h8-10,15,18H,5-7,11-13H2,1-4H3
InChIKeyCXZTTZFVHAUONF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.83
Rot. Bonds6

About 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine

2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine (PubChem CID 64861386) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine
PubChem CID64861386
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1cccc(OC)n1
InChIInChI=1S/C17H29N3O/c1-5-15-11-18-17(6-2,7-3)13-20(15)12-14-9-8-10-16(19-14)21-4/h8-10,15,18H,5-7,11-13H2,1-4H3
InChIKeyCXZTTZFVHAUONF-UHFFFAOYSA-N
XLogP2.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine?
The IUPAC name of 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine (CID 64861386) is 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine is CCC1CNC(CC)(CC)CN1Cc1cccc(OC)n1.
What is the InChIKey of 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine?
The InChIKey is CXZTTZFVHAUONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-15-11-18-17(6-2,7-3)13-20(15)12-14-9-8-10-16(19-14)21-4/h8-10,15,18H,5-7,11-13H2,1-4H3.
What are the key properties of 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine?
2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine has a molecular weight of 291.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 64861386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).