1,3,5-trimethylpiperazin-4-ide

C7H15N2- — CID 142097716

IUPAC1,3,5-trimethylpiperazin-4-ide
SMILESCC1CN(C)CC(C)[N-]1
InChIInChI=1S/C7H15N2/c1-6-4-9(3)5-7(2)8-6/h6-7H,4-5H2,1-3H3/q-1
InChIKeyOCKKIVHCAPFVEB-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.08
Rot. Bonds

About 1,3,5-trimethylpiperazin-4-ide

1,3,5-trimethylpiperazin-4-ide (PubChem CID 142097716) has the molecular formula C7H15N2- and a molecular weight of 127.21 g/mol. Its IUPAC name is 1,3,5-trimethylpiperazin-4-ide.

Molecular Properties

Compound Name1,3,5-trimethylpiperazin-4-ide
PubChem CID142097716
Molecular FormulaC7H15N2-
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name1,3,5-trimethylpiperazin-4-ide
SMILESCC1CN(C)CC(C)[N-]1
InChIInChI=1S/C7H15N2/c1-6-4-9(3)5-7(2)8-6/h6-7H,4-5H2,1-3H3/q-1
InChIKeyOCKKIVHCAPFVEB-UHFFFAOYSA-N
XLogP1.08
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Dimethylpiperazine
CID 7818
1,2,4-Trimethylpiperazine
CID 98933
1,4-Diisopropylpiperazine
CID 204266
1,4-Piperazinediethanamine, beta,beta'-dimethyl-
CID 3086049
(2R)-1,2,4-Trimethylpiperazine
CID 12659078
1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
1-Methyl-4-propyl-piperazine
CID 12566798
1-Methylpiperazin-4-ide
CID 141792419
1-(2-Fluoropropyl)-4-propan-2-ylpiperazine
CID 58366831
1,4-Dimethyl-2-(trifluoromethyl)piperazine
CID 89212727
(2S)-4-(2-fluoropropyl)-2-methyl-1-propan-2-ylpiperazine
CID 124098816
(2R)-4-(2-fluoropropyl)-2-methyl-1-propan-2-ylpiperazine
CID 124098821

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylpiperazin-4-ide?
The IUPAC name of 1,3,5-trimethylpiperazin-4-ide (CID 142097716) is 1,3,5-trimethylpiperazin-4-ide.
What is the SMILES notation for 1,3,5-trimethylpiperazin-4-ide?
The canonical SMILES for 1,3,5-trimethylpiperazin-4-ide is CC1CN(C)CC(C)[N-]1.
What is the InChIKey of 1,3,5-trimethylpiperazin-4-ide?
The InChIKey is OCKKIVHCAPFVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-6-4-9(3)5-7(2)8-6/h6-7H,4-5H2,1-3H3/q-1.
What are the key properties of 1,3,5-trimethylpiperazin-4-ide?
1,3,5-trimethylpiperazin-4-ide has a molecular weight of 127.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylpiperazin-4-ide is sourced from PubChem (CID 142097716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).