2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine

C16H27N3 — CID 82246267

IUPAC2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
SMILESCC1CN(CCN(C)C)C(Cc2ccccc2)CN1
InChIInChI=1S/C16H27N3/c1-14-13-19(10-9-18(2)3)16(12-17-14)11-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyDPHCCLIMHCNQLZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.45
Rot. Bonds5

About 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine

2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine (PubChem CID 82246267) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
PubChem CID82246267
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
SMILESCC1CN(CCN(C)C)C(Cc2ccccc2)CN1
InChIInChI=1S/C16H27N3/c1-14-13-19(10-9-18(2)3)16(12-17-14)11-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyDPHCCLIMHCNQLZ-UHFFFAOYSA-N
XLogP1.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250163
2-benzyl-1,5-dimethylpiperazine
CID 64844005
2-benzyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 115943580
2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
CID 65462876
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392
N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
CID 64938924
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936533
3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936336
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine (CID 82246267) is 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine is CC1CN(CCN(C)C)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine?
The InChIKey is DPHCCLIMHCNQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14-13-19(10-9-18(2)3)16(12-17-14)11-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3.
What are the key properties of 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine?
2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 82246267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).