AI16503
1253200-82-6 | Cis-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16503
ChemicalName
Cis-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
CasNumber
1253200-82-6
MolecularFormula
C12H21NO4
MolecularWeight
243.2994
MdlNumber
MFCD27997481
Smiles
C[C@H]1CC[C@H](CN1C(=O)OC(C)(C)C)C(=O)O
Complexity
308
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AI16503
ChemicalName: Cis-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
CasNumber: 1253200-82-6
MolecularFormula: C12H21NO4
MolecularWeight: 243.2994
MdlNumber: MFCD27997481
Smiles: C[C@H]1CC[C@H](CN1C(=O)OC(C)(C)C)C(=O)O
Complexity: 308
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AI16503
ChemicalName:
Cis-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
CasNumber:
1253200-82-6
MolecularFormula:
C12H21NO4
MolecularWeight:
243.2994
MdlNumber:
MFCD27997481
Smiles:
C[C@H]1CC[C@H](CN1C(=O)OC(C)(C)C)C(=O)O
Complexity:
308
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C1COCc2c1sc(=N)[nH]2
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
O=C1COCc2c1sc(=N)[nH]2
Complexity:
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__
HeavyAtomCount:
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Smiles: NCCC1COC1.Cl
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Smiles:
NCCC1COC1.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: B(C1=CC(=CN=C1F)C2OCCO2)(O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
B(C1=CC(=CN=C1F)C2OCCO2)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__