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

C16H27N3 — CID 64948112

IUPAC2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CNC(C)(CC)CN1Cc1cccc(C)n1
InChIInChI=1S/C16H27N3/c1-5-15-10-17-16(4,6-2)12-19(15)11-14-9-7-8-13(3)18-14/h7-9,15,17H,5-6,10-12H2,1-4H3
InChIKeyRXABPJLNXINZAU-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.74
Rot. Bonds4

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

2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 64948112) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID64948112
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CNC(C)(CC)CN1Cc1cccc(C)n1
InChIInChI=1S/C16H27N3/c1-5-15-10-17-16(4,6-2)12-19(15)11-14-9-7-8-13(3)18-14/h7-9,15,17H,5-6,10-12H2,1-4H3
InChIKeyRXABPJLNXINZAU-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 64948112) is 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is CCC1CNC(C)(CC)CN1Cc1cccc(C)n1.
What is the InChIKey of 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is RXABPJLNXINZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-15-10-17-16(4,6-2)12-19(15)11-14-9-7-8-13(3)18-14/h7-9,15,17H,5-6,10-12H2,1-4H3.
What are the key properties of 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 64948112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).