2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine

C16H26N2 — CID 64936505

IUPAC2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine
SMILESCCc1ccccc1CN1CC(C)NCC1CC
InChIInChI=1S/C16H26N2/c1-4-14-8-6-7-9-15(14)12-18-11-13(3)17-10-16(18)5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyHEJFHJXHKYSCTI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds4

About 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine

2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine (PubChem CID 64936505) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine
PubChem CID64936505
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine
SMILESCCc1ccccc1CN1CC(C)NCC1CC
InChIInChI=1S/C16H26N2/c1-4-14-8-6-7-9-15(14)12-18-11-13(3)17-10-16(18)5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyHEJFHJXHKYSCTI-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine (CID 64936505) is 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine is CCc1ccccc1CN1CC(C)NCC1CC.
What is the InChIKey of 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine?
The InChIKey is HEJFHJXHKYSCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-14-8-6-7-9-15(14)12-18-11-13(3)17-10-16(18)5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine?
2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 64936505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).