AG33930
444891-21-8 | tert-Butyl 4-(cyano(phenyl)methyl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG33930
ChemicalName
tert-Butyl 4-(cyano(phenyl)methyl)piperazine-1-carboxylate
CasNumber
444891-21-8
MolecularFormula
C17H23N3O2
MolecularWeight
301.3834
MdlNumber
MFCD09910427
Smiles
N#CC(c1ccccc1)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity
421
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AG33930
ChemicalName: tert-Butyl 4-(cyano(phenyl)methyl)piperazine-1-carboxylate
CasNumber: 444891-21-8
MolecularFormula: C17H23N3O2
MolecularWeight: 301.3834
MdlNumber: MFCD09910427
Smiles: N#CC(c1ccccc1)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 421
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AG33930
ChemicalName:
tert-Butyl 4-(cyano(phenyl)methyl)piperazine-1-carboxylate
CasNumber:
444891-21-8
MolecularFormula:
C17H23N3O2
MolecularWeight:
301.3834
MdlNumber:
MFCD09910427
Smiles:
N#CC(c1ccccc1)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
421
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
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Smiles: COCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
COCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(CN1CCOCC1)CN1C(=O)c2c(C1=O)cccc2
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Smiles:
OC(CN1CCOCC1)CN1C(=O)c2c(C1=O)cccc2
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)OC)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)OC)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__