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

C16H27N3 — CID 79261256

IUPAC2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1cccc(C)n1
InChIInChI=1S/C16H27N3/c1-6-16(5)11-17-15(3,4)12-19(16)10-14-9-7-8-13(2)18-14/h7-9,17H,6,10-12H2,1-5H3
InChIKeyZWZGDBILFJKPNJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.74
Rot. Bonds3

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

2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 79261256) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID79261256
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1cccc(C)n1
InChIInChI=1S/C16H27N3/c1-6-16(5)11-17-15(3,4)12-19(16)10-14-9-7-8-13(2)18-14/h7-9,17H,6,10-12H2,1-5H3
InChIKeyZWZGDBILFJKPNJ-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 79263913
2-ethyl-2,5-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79260901
5,5-diethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261770
2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871464
1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 114934587
2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261513
1-[(2,3-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 64838563
2,2-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 64841495
2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843429
5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79260558
3,3-dimethyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79263914
2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64948112

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 79261256) is 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is CCC1(C)CNC(C)(C)CN1Cc1cccc(C)n1.
What is the InChIKey of 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is ZWZGDBILFJKPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-6-16(5)11-17-15(3,4)12-19(16)10-14-9-7-8-13(2)18-14/h7-9,17H,6,10-12H2,1-5H3.
What are the key properties of 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 79261256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).