AB79365
1187386-02-2 | 2-(4-BOC-piperazino)-3-bromo-5-methylpyridine
Manufacturer: A2B Chem
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CatalogNumber
AB79365
ChemicalName
2-(4-BOC-piperazino)-3-bromo-5-methylpyridine
CasNumber
1187386-02-2
MolecularFormula
C15H22BrN3O2
MolecularWeight
356.2581
MdlNumber
MFCD12913989
Smiles
Cc1cnc(c(c1)Br)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity
364
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AB79365
ChemicalName: 2-(4-BOC-piperazino)-3-bromo-5-methylpyridine
CasNumber: 1187386-02-2
MolecularFormula: C15H22BrN3O2
MolecularWeight: 356.2581
MdlNumber: MFCD12913989
Smiles: Cc1cnc(c(c1)Br)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AB79365
ChemicalName:
2-(4-BOC-piperazino)-3-bromo-5-methylpyridine
CasNumber:
1187386-02-2
MolecularFormula:
C15H22BrN3O2
MolecularWeight:
356.2581
MdlNumber:
MFCD12913989
Smiles:
Cc1cnc(c(c1)Br)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AB79366
ChemicalName: 2-(4-BOC-piperazin-1-yl)-3-bromopyridine
CasNumber: 1187386-01-1
MolecularFormula: C14H20BrN3O2
MolecularWeight: 342.2315
MdlNumber: MFCD12546610
Smiles: O=C(N1CCN(CC1)c1ncccc1Br)OC(C)(C)C
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB79366
ChemicalName:
2-(4-BOC-piperazin-1-yl)-3-bromopyridine
CasNumber:
1187386-01-1
MolecularFormula:
C14H20BrN3O2
MolecularWeight:
342.2315
MdlNumber:
MFCD12546610
Smiles:
O=C(N1CCN(CC1)c1ncccc1Br)OC(C)(C)C
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: AB79367
ChemicalName: 2-(4-Boc-piperazin-1-yl)-3-methylpyridine-5-boronic acid pinacol ester
CasNumber: 1073354-54-7
MolecularFormula: C21H34BN3O4
MolecularWeight: 403.3234
MdlNumber: MFCD08064052
Smiles: O=C(N1CCN(CC1)c1ncc(cc1C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 583
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB79367
ChemicalName:
2-(4-Boc-piperazin-1-yl)-3-methylpyridine-5-boronic acid pinacol ester
CasNumber:
1073354-54-7
MolecularFormula:
C21H34BN3O4
MolecularWeight:
403.3234
MdlNumber:
MFCD08064052
Smiles:
O=C(N1CCN(CC1)c1ncc(cc1C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
583
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)c1ncc(c(c1)C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)c1ncc(c(c1)C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__