(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate

C10H20N2O2 — CID 167431823

IUPAC(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CN1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-9(13)14-10(2,3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyHBMMQGMCXJRQMJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate

(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate (PubChem CID 167431823) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate.

Molecular Properties

Compound Name(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate
PubChem CID167431823
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CN1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-9(13)14-10(2,3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyHBMMQGMCXJRQMJ-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate
CID 151134239
tert-butyl acetate;piperazine-1-carboxylic acid
CID 167582748
1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine
CID 82090991
tert-butyl 2-[4-(2-oxopropyl)-1,4,7-triazonan-1-yl]acetate
CID 118026423
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
3-methylpentan-3-yl 2-piperazin-1-ylacetate
CID 169025399
(4-imidazol-1-yl-2-methyl-3,4-dioxo-1-piperazin-1-ylbutan-2-yl) carbamate
CID 154998037
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
1-(2-methyl-2-propylsulfonylpropyl)piperazine
CID 117037847
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate?
The IUPAC name of (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate (CID 167431823) is (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate.
What is the SMILES notation for (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate?
The canonical SMILES for (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate is CC(=O)OC(C)(C)CN1CCNCC1.
What is the InChIKey of (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate?
The InChIKey is HBMMQGMCXJRQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(13)14-10(2,3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3.
What are the key properties of (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate?
(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-piperazin-1-ylpropan-2-yl) acetate is sourced from PubChem (CID 167431823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).