(1,4-dimethylpiperazin-2-yl) acetate

C8H16N2O2 — CID 175039097

IUPAC(1,4-dimethylpiperazin-2-yl) acetate
SMILESCC(=O)OC1CN(C)CCN1C
InChIInChI=1S/C8H16N2O2/c1-7(11)12-8-6-9(2)4-5-10(8)3/h8H,4-6H2,1-3H3
InChIKeyIAFIFPLJZLTHJB-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds1

About (1,4-dimethylpiperazin-2-yl) acetate

(1,4-dimethylpiperazin-2-yl) acetate (PubChem CID 175039097) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl) acetate.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl) acetate
PubChem CID175039097
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(1,4-dimethylpiperazin-2-yl) acetate
SMILESCC(=O)OC1CN(C)CCN1C
InChIInChI=1S/C8H16N2O2/c1-7(11)12-8-6-9(2)4-5-10(8)3/h8H,4-6H2,1-3H3
InChIKeyIAFIFPLJZLTHJB-UHFFFAOYSA-N
XLogP-0.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-benzyl-1-methylpiperazin-2-yl] acetate
CID 66769581
(1,3-dimethylpiperidin-4-yl) acetate
CID 20696711
[(3S,4S)-4-hydroxy-1,4-dimethylpiperidin-3-yl] acetate
CID 102445283
2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane
CID 173283248
1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one
CID 79659387
(2S)-4-acetyloxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67766306
methyl 1,4-dimethyl-1,4-diazepane-6-carboxylate
CID 118068295
1,4,7-trimethyl-1,4,7-triazonan-2-amine
CID 91169471
1-(1,4-dimethylpiperazin-2-yl)undecan-1-one
CID 79659640
1-(1,4-dimethylpiperazin-2-yl)-3-methylsulfonylpropan-1-one
CID 79658884
acetic acid;1-methylpyrrolidine-3-thiol
CID 88601172
1-(1-methylazetidin-3-yl)propan-2-one
CID 83904810

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl) acetate?
The IUPAC name of (1,4-dimethylpiperazin-2-yl) acetate (CID 175039097) is (1,4-dimethylpiperazin-2-yl) acetate.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl) acetate?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl) acetate is CC(=O)OC1CN(C)CCN1C.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl) acetate?
The InChIKey is IAFIFPLJZLTHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(11)12-8-6-9(2)4-5-10(8)3/h8H,4-6H2,1-3H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl) acetate?
(1,4-dimethylpiperazin-2-yl) acetate has a molecular weight of 172.23 g/mol, XLogP of -0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl) acetate is sourced from PubChem (CID 175039097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).