2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

C18H30N2O — CID 115943580

IUPAC2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESCC1CN(CCOC(C)(C)C)C(Cc2ccccc2)CN1
InChIInChI=1S/C18H30N2O/c1-15-14-20(10-11-21-18(2,3)4)17(13-19-15)12-16-8-6-5-7-9-16/h5-9,15,17,19H,10-14H2,1-4H3
InChIKeyHWVPEXYOVXMCQH-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.71
Rot. Bonds5

About 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (PubChem CID 115943580) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.

Molecular Properties

Compound Name2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
PubChem CID115943580
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESCC1CN(CCOC(C)(C)C)C(Cc2ccccc2)CN1
InChIInChI=1S/C18H30N2O/c1-15-14-20(10-11-21-18(2,3)4)17(13-19-15)12-16-8-6-5-7-9-16/h5-9,15,17,19H,10-14H2,1-4H3
InChIKeyHWVPEXYOVXMCQH-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
CID 82246267
2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250163
2-benzyl-1,5-dimethylpiperazine
CID 64844005
2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
CID 65462876
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
2-butan-2-yl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592031
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392
2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
CID 64842547
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
2-benzyl-1-butyl-5-cyclopropylpiperazine
CID 64860330

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The IUPAC name of 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (CID 115943580) is 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.
What is the SMILES notation for 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The canonical SMILES for 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is CC1CN(CCOC(C)(C)C)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The InChIKey is HWVPEXYOVXMCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-14-20(10-11-21-18(2,3)4)17(13-19-15)12-16-8-6-5-7-9-16/h5-9,15,17,19H,10-14H2,1-4H3.
What are the key properties of 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is sourced from PubChem (CID 115943580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).