2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

C15H25N3 — CID 79261513

IUPAC2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1(CC)CNCCN1Cc1cccc(C)n1
InChIInChI=1S/C15H25N3/c1-4-15(5-2)12-16-9-10-18(15)11-14-8-6-7-13(3)17-14/h6-8,16H,4-5,9-12H2,1-3H3
InChIKeyLRKNXMKWQNANAC-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.35
Rot. Bonds4

About 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 79261513) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID79261513
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1(CC)CNCCN1Cc1cccc(C)n1
InChIInChI=1S/C15H25N3/c1-4-15(5-2)12-16-9-10-18(15)11-14-8-6-7-13(3)17-14/h6-8,16H,4-5,9-12H2,1-3H3
InChIKeyLRKNXMKWQNANAC-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 79261513) is 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is CCC1(CC)CNCCN1Cc1cccc(C)n1.
What is the InChIKey of 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is LRKNXMKWQNANAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-15(5-2)12-16-9-10-18(15)11-14-8-6-7-13(3)17-14/h6-8,16H,4-5,9-12H2,1-3H3.
What are the key properties of 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 79261513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).