AA38286
129799-14-0 | 4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA38286
ChemicalName
4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber
129799-14-0
MolecularFormula
C19H26N2O6
MolecularWeight
378.4195
MdlNumber
MFCD09038774
Smiles
COC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity
539
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AA38286
ChemicalName: 4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber: 129799-14-0
MolecularFormula: C19H26N2O6
MolecularWeight: 378.4195
MdlNumber: MFCD09038774
Smiles: COC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity: 539
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AA38286
ChemicalName:
4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber:
129799-14-0
MolecularFormula:
C19H26N2O6
MolecularWeight:
378.4195
MdlNumber:
MFCD09038774
Smiles:
COC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity:
539
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AA38287
ChemicalName: N-4-Cbz-piperazine-2-carboxylate methyl ester
CasNumber: 129799-11-7
MolecularFormula: C14H18N2O4
MolecularWeight: 278.30372000000006
MdlNumber: MFCD03001724
Smiles: COC(=O)C1NCCN(C1)C(=O)OCc1ccccc1
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AA38287
ChemicalName:
N-4-Cbz-piperazine-2-carboxylate methyl ester
CasNumber:
129799-11-7
MolecularFormula:
C14H18N2O4
MolecularWeight:
278.30372000000006
MdlNumber:
MFCD03001724
Smiles:
COC(=O)C1NCCN(C1)C(=O)OCc1ccccc1
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: AA38288
ChemicalName: Methyl 4-boc-piperazine-2-carboxylate
CasNumber: 129799-08-2
MolecularFormula: C11H20N2O4
MolecularWeight: 244.2875
MdlNumber: MFCD01632465
Smiles: COC(=O)C1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AA38288
ChemicalName:
Methyl 4-boc-piperazine-2-carboxylate
CasNumber:
129799-08-2
MolecularFormula:
C11H20N2O4
MolecularWeight:
244.2875
MdlNumber:
MFCD01632465
Smiles:
COC(=O)C1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
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Smiles: CCOC(=O)C1CNCCN1.Cl.Cl
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Smiles:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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