AF33993
253177-03-6 | 3-Iodomethyl-piperidine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF33993
ChemicalName
3-Iodomethyl-piperidine-1-carboxylic acid tert-butyl ester
CasNumber
253177-03-6
MolecularFormula
C11H20INO2
MolecularWeight
325.1865
MdlNumber
MFCD09953364
Smiles
ICC1CCCN(C1)C(=O)OC(C)(C)C
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3
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CatalogNumber: AF33993
ChemicalName: 3-Iodomethyl-piperidine-1-carboxylic acid tert-butyl ester
CasNumber: 253177-03-6
MolecularFormula: C11H20INO2
MolecularWeight: 325.1865
MdlNumber: MFCD09953364
Smiles: ICC1CCCN(C1)C(=O)OC(C)(C)C
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AF33993
ChemicalName:
3-Iodomethyl-piperidine-1-carboxylic acid tert-butyl ester
CasNumber:
253177-03-6
MolecularFormula:
C11H20INO2
MolecularWeight:
325.1865
MdlNumber:
MFCD09953364
Smiles:
ICC1CCCN(C1)C(=O)OC(C)(C)C
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3
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MolecularFormula: __
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Smiles: Cn1c(C)c(O)c(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
Cn1c(C)c(O)c(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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Smiles: Brc1cn(c2c1c(Cl)ncn2)S(=O)(=O)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Brc1cn(c2c1c(Cl)ncn2)S(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CC1=CC(=C(C(=C1)C)N=C(C)C(=NC2=C(C=C(C=C2C)C)C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC1=CC(=C(C(=C1)C)N=C(C)C(=NC2=C(C=C(C=C2C)C)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__