AI29306
1305046-45-0 | Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI29306
ChemicalName
Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-4-carboxylate
CasNumber
1305046-45-0
MolecularFormula
C12H16BrNO2S
MolecularWeight
318.2299
MdlNumber
MFCD15489777
Smiles
COC(=O)C1CCN(CC1)Cc1scc(c1)Br
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AI29306
ChemicalName: Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-4-carboxylate
CasNumber: 1305046-45-0
MolecularFormula: C12H16BrNO2S
MolecularWeight: 318.2299
MdlNumber: MFCD15489777
Smiles: COC(=O)C1CCN(CC1)Cc1scc(c1)Br
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AI29306
ChemicalName:
Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-4-carboxylate
CasNumber:
1305046-45-0
MolecularFormula:
C12H16BrNO2S
MolecularWeight:
318.2299
MdlNumber:
MFCD15489777
Smiles:
COC(=O)C1CCN(CC1)Cc1scc(c1)Br
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.5
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Smiles: CN(/C=C/c1c(cnc2n1ncc2)C(=O)C)C
Complexity: __
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CN(/C=C/c1c(cnc2n1ncc2)C(=O)C)C
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Smiles: Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccccc1)C
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Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccccc1)C
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Smiles: CC(C1OCCN(C1)Cc1ccccc1)N
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Smiles:
CC(C1OCCN(C1)Cc1ccccc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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