5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine

C18H30N2O — CID 64847819

IUPAC5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine
SMILESCOCCN1CC(Cc2ccccc2)NCC1CC(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)11-18-13-19-17(14-20(18)9-10-21-3)12-16-7-5-4-6-8-16/h4-8,15,17-19H,9-14H2,1-3H3
InChIKeyIIAIRRQMWBVJEP-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.56
Rot. Bonds7

About 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine

5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine (PubChem CID 64847819) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine
PubChem CID64847819
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine
SMILESCOCCN1CC(Cc2ccccc2)NCC1CC(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)11-18-13-19-17(14-20(18)9-10-21-3)12-16-7-5-4-6-8-16/h4-8,15,17-19H,9-14H2,1-3H3
InChIKeyIIAIRRQMWBVJEP-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-1-(2-methoxyethyl)-2-propylpiperazine
CID 64848203
2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
CID 64842547
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
1,2,5-tribenzylpiperazine
CID 64850137
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935
(5-benzyl-1-ethylpiperazin-2-yl)methanol
CID 82243258
3-benzyl-1-(2-methoxyethyl)-1,4-diazepane
CID 64858991
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine?
The IUPAC name of 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine (CID 64847819) is 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine?
The canonical SMILES for 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine is COCCN1CC(Cc2ccccc2)NCC1CC(C)C.
What is the InChIKey of 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine?
The InChIKey is IIAIRRQMWBVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)11-18-13-19-17(14-20(18)9-10-21-3)12-16-7-5-4-6-8-16/h4-8,15,17-19H,9-14H2,1-3H3.
What are the key properties of 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine?
5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64847819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).