methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate

C10H20N2O2 — CID 23388631

IUPACmethyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate
SMILESCOC(=O)C1CN(C)CC(C(C)C)N1
InChIInChI=1S/C10H20N2O2/c1-7(2)8-5-12(3)6-9(11-8)10(13)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyOYZUZYTWEWQAGU-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds2

About methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate

methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate (PubChem CID 23388631) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate
PubChem CID23388631
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate
SMILESCOC(=O)C1CN(C)CC(C(C)C)N1
InChIInChI=1S/C10H20N2O2/c1-7(2)8-5-12(3)6-9(11-8)10(13)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyOYZUZYTWEWQAGU-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate (CID 23388631) is methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate is COC(=O)C1CN(C)CC(C(C)C)N1.
What is the InChIKey of methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate?
The InChIKey is OYZUZYTWEWQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)8-5-12(3)6-9(11-8)10(13)14-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate?
methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-propan-2-ylpiperazine-2-carboxylate is sourced from PubChem (CID 23388631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).