1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine

C18H30N2 — CID 64940136

IUPAC1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCCc1ccccc1CN1CC(CC(C)C)NCC1C
InChIInChI=1S/C18H30N2/c1-5-16-8-6-7-9-17(16)12-20-13-18(10-14(2)3)19-11-15(20)4/h6-9,14-15,18-19H,5,10-13H2,1-4H3
InChIKeySHPAANZYIQWJDZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds5

About 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine

1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64940136) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64940136
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCCc1ccccc1CN1CC(CC(C)C)NCC1C
InChIInChI=1S/C18H30N2/c1-5-16-8-6-7-9-17(16)12-20-13-18(10-14(2)3)19-11-15(20)4/h6-9,14-15,18-19H,5,10-13H2,1-4H3
InChIKeySHPAANZYIQWJDZ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64843790
1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64932402
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 106261615
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64849507
1-(2,2-difluoro-2-phenylethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 116790807
2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64841669
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64939823
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377
5-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-2-methylpiperazine
CID 82745598

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine (CID 64940136) is 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine is CCc1ccccc1CN1CC(CC(C)C)NCC1C.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is SHPAANZYIQWJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-16-8-6-7-9-17(16)12-20-13-18(10-14(2)3)19-11-15(20)4/h6-9,14-15,18-19H,5,10-13H2,1-4H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64940136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).