5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

C15H25N3 — CID 79260558

IUPAC5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CN(Cc2cccc(C)n2)C(C)(C)CN1
InChIInChI=1S/C15H25N3/c1-5-13-9-18(15(3,4)11-16-13)10-14-8-6-7-12(2)17-14/h6-8,13,16H,5,9-11H2,1-4H3
InChIKeyXYFFJIVSWAZFJP-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.35
Rot. Bonds3

About 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 79260558) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID79260558
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CN(Cc2cccc(C)n2)C(C)(C)CN1
InChIInChI=1S/C15H25N3/c1-5-13-9-18(15(3,4)11-16-13)10-14-8-6-7-12(2)17-14/h6-8,13,16H,5,9-11H2,1-4H3
InChIKeyXYFFJIVSWAZFJP-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 79260558) is 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is CCC1CN(Cc2cccc(C)n2)C(C)(C)CN1.
What is the InChIKey of 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is XYFFJIVSWAZFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-13-9-18(15(3,4)11-16-13)10-14-8-6-7-12(2)17-14/h6-8,13,16H,5,9-11H2,1-4H3.
What are the key properties of 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 79260558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).