1-benzyl-2,4,6-trimethylpiperazine;ethane

C16H28N2 — CID 145145850

IUPAC1-benzyl-2,4,6-trimethylpiperazine;ethane
SMILESCC.CC1CN(C)CC(C)N1Cc1ccccc1
InChIInChI=1S/C14H22N2.C2H6/c1-12-9-15(3)10-13(2)16(12)11-14-7-5-4-6-8-14;1-2/h4-8,12-13H,9-11H2,1-3H3;1-2H3
InChIKeyYSCYJBKOJZYIEV-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.24
Rot. Bonds2

About 1-benzyl-2,4,6-trimethylpiperazine;ethane

1-benzyl-2,4,6-trimethylpiperazine;ethane (PubChem CID 145145850) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-benzyl-2,4,6-trimethylpiperazine;ethane.

Molecular Properties

Compound Name1-benzyl-2,4,6-trimethylpiperazine;ethane
PubChem CID145145850
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-benzyl-2,4,6-trimethylpiperazine;ethane
SMILESCC.CC1CN(C)CC(C)N1Cc1ccccc1
InChIInChI=1S/C14H22N2.C2H6/c1-12-9-15(3)10-13(2)16(12)11-14-7-5-4-6-8-14;1-2/h4-8,12-13H,9-11H2,1-3H3;1-2H3
InChIKeyYSCYJBKOJZYIEV-UHFFFAOYSA-N
XLogP3.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane
CID 142374999
4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 110393863
(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 144920787
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
2-(1,4-dibenzyl-6-methylpiperazin-2-yl)propan-2-ol
CID 118407524

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4,6-trimethylpiperazine;ethane?
The IUPAC name of 1-benzyl-2,4,6-trimethylpiperazine;ethane (CID 145145850) is 1-benzyl-2,4,6-trimethylpiperazine;ethane.
What is the SMILES notation for 1-benzyl-2,4,6-trimethylpiperazine;ethane?
The canonical SMILES for 1-benzyl-2,4,6-trimethylpiperazine;ethane is CC.CC1CN(C)CC(C)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,4,6-trimethylpiperazine;ethane?
The InChIKey is YSCYJBKOJZYIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C2H6/c1-12-9-15(3)10-13(2)16(12)11-14-7-5-4-6-8-14;1-2/h4-8,12-13H,9-11H2,1-3H3;1-2H3.
What are the key properties of 1-benzyl-2,4,6-trimethylpiperazine;ethane?
1-benzyl-2,4,6-trimethylpiperazine;ethane has a molecular weight of 248.41 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4,6-trimethylpiperazine;ethane is sourced from PubChem (CID 145145850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).