propan-2-yl 2-(4-methylpiperazin-1-yl)acetate

C10H20N2O2 — CID 60683362

IUPACpropan-2-yl 2-(4-methylpiperazin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-9(2)14-10(13)8-12-6-4-11(3)5-7-12/h9H,4-8H2,1-3H3
InChIKeyGHQAVWXYSZLHSQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.19
Rot. Bonds3

About propan-2-yl 2-(4-methylpiperazin-1-yl)acetate

propan-2-yl 2-(4-methylpiperazin-1-yl)acetate (PubChem CID 60683362) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is propan-2-yl 2-(4-methylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methylpiperazin-1-yl)acetate
PubChem CID60683362
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namepropan-2-yl 2-(4-methylpiperazin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-9(2)14-10(13)8-12-6-4-11(3)5-7-12/h9H,4-8H2,1-3H3
InChIKeyGHQAVWXYSZLHSQ-UHFFFAOYSA-N
XLogP0.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-methylpiperazin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4-methylpiperazin-1-yl)acetate (CID 60683362) is propan-2-yl 2-(4-methylpiperazin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-methylpiperazin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4-methylpiperazin-1-yl)acetate is CC(C)OC(=O)CN1CCN(C)CC1.
What is the InChIKey of propan-2-yl 2-(4-methylpiperazin-1-yl)acetate?
The InChIKey is GHQAVWXYSZLHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2)14-10(13)8-12-6-4-11(3)5-7-12/h9H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-(4-methylpiperazin-1-yl)acetate?
propan-2-yl 2-(4-methylpiperazin-1-yl)acetate has a molecular weight of 200.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methylpiperazin-1-yl)acetate is sourced from PubChem (CID 60683362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).