1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate

C15H28N2O4 — CID 23388705

IUPAC1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC(C)(C)C)C(C(C)C)CN1C
InChIInChI=1S/C15H28N2O4/c1-10(2)11-8-16(6)12(13(18)20-7)9-17(11)14(19)21-15(3,4)5/h10-12H,8-9H2,1-7H3
InChIKeyGIMYNGVUMNBSFU-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.74
Rot. Bonds2

About 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate (PubChem CID 23388705) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate
PubChem CID23388705
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC(C)(C)C)C(C(C)C)CN1C
InChIInChI=1S/C15H28N2O4/c1-10(2)11-8-16(6)12(13(18)20-7)9-17(11)14(19)21-15(3,4)5/h10-12H,8-9H2,1-7H3
InChIKeyGIMYNGVUMNBSFU-UHFFFAOYSA-N
XLogP1.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate (CID 23388705) is 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate is COC(=O)C1CN(C(=O)OC(C)(C)C)C(C(C)C)CN1C.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate?
The InChIKey is GIMYNGVUMNBSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(2)11-8-16(6)12(13(18)20-7)9-17(11)14(19)21-15(3,4)5/h10-12H,8-9H2,1-7H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 4-methyl-6-propan-2-ylpiperazine-1,3-dicarboxylate is sourced from PubChem (CID 23388705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).