AB57968
352437-09-3 | 1-BOC-4-(4-Bromophenyl)piperazine
Manufacturer: A2B Chem
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CatalogNumber
AB57968
ChemicalName
1-BOC-4-(4-Bromophenyl)piperazine
CasNumber
352437-09-3
MolecularFormula
C15H21BrN2O2
MolecularWeight
341.2434
MdlNumber
MFCD07371649
Smiles
O=C(N1CCN(CC1)c1ccc(cc1)Br)OC(C)(C)C
Complexity
327
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AB57968
ChemicalName: 1-BOC-4-(4-Bromophenyl)piperazine
CasNumber: 352437-09-3
MolecularFormula: C15H21BrN2O2
MolecularWeight: 341.2434
MdlNumber: MFCD07371649
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)Br)OC(C)(C)C
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AB57968
ChemicalName:
1-BOC-4-(4-Bromophenyl)piperazine
CasNumber:
352437-09-3
MolecularFormula:
C15H21BrN2O2
MolecularWeight:
341.2434
MdlNumber:
MFCD07371649
Smiles:
O=C(N1CCN(CC1)c1ccc(cc1)Br)OC(C)(C)C
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: AB57969
ChemicalName: 4-(4-BOC-Piperazino)benzonitrile
CasNumber: 186650-98-6
MolecularFormula: C16H21N3O2
MolecularWeight: 287.3568
MdlNumber: MFCD03791198
Smiles: N#Cc1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 405
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AB57969
ChemicalName:
4-(4-BOC-Piperazino)benzonitrile
CasNumber:
186650-98-6
MolecularFormula:
C16H21N3O2
MolecularWeight:
287.3568
MdlNumber:
MFCD03791198
Smiles:
N#Cc1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
405
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.4
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Smiles: OCCC(C1CCN(CC1)C(=O)OC(C)(C)C)C
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OCCC(C1CCN(CC1)C(=O)OC(C)(C)C)C
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Smiles: Cc1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
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Smiles:
Cc1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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