5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine

C17H28N2 — CID 64860604

IUPAC5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
SMILESCCC1(CC)CN(Cc2cccc(C)c2)C(C)CN1
InChIInChI=1S/C17H28N2/c1-5-17(6-2)13-19(15(4)11-18-17)12-16-9-7-8-14(3)10-16/h7-10,15,18H,5-6,11-13H2,1-4H3
InChIKeyYYOGEWOPFDLWDA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.35
Rot. Bonds4

About 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine

5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine (PubChem CID 64860604) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
PubChem CID64860604
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
SMILESCCC1(CC)CN(Cc2cccc(C)c2)C(C)CN1
InChIInChI=1S/C17H28N2/c1-5-17(6-2)13-19(15(4)11-18-17)12-16-9-7-8-14(3)10-16/h7-10,15,18H,5-6,11-13H2,1-4H3
InChIKeyYYOGEWOPFDLWDA-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine (CID 64860604) is 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine is CCC1(CC)CN(Cc2cccc(C)c2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine?
The InChIKey is YYOGEWOPFDLWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-17(6-2)13-19(15(4)11-18-17)12-16-9-7-8-14(3)10-16/h7-10,15,18H,5-6,11-13H2,1-4H3.
What are the key properties of 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine?
5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64860604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).