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

C16H26N2 — CID 64843913

IUPAC5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine
SMILESCCC1CN(Cc2ccccc2C)C(C)(C)CN1
InChIInChI=1S/C16H26N2/c1-5-15-11-18(16(3,4)12-17-15)10-14-9-7-6-8-13(14)2/h6-9,15,17H,5,10-12H2,1-4H3
InChIKeyGVGINJYFJFCTSZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds3

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

5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine (PubChem CID 64843913) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine
PubChem CID64843913
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine
SMILESCCC1CN(Cc2ccccc2C)C(C)(C)CN1
InChIInChI=1S/C16H26N2/c1-5-15-11-18(16(3,4)12-17-15)10-14-9-7-6-8-13(14)2/h6-9,15,17H,5,10-12H2,1-4H3
InChIKeyGVGINJYFJFCTSZ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 102862525
1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841386
1-[(2-bromophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843930
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 113456015
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 64840548
2,2,5-triethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375712
2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349580
1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644884
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine (CID 64843913) is 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine is CCC1CN(Cc2ccccc2C)C(C)(C)CN1.
What is the InChIKey of 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine?
The InChIKey is GVGINJYFJFCTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-15-11-18(16(3,4)12-17-15)10-14-9-7-6-8-13(14)2/h6-9,15,17H,5,10-12H2,1-4H3.
What are the key properties of 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine?
5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64843913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).