AI05112
1009376-75-3 | Trans-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI05112
ChemicalName
Trans-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
CasNumber
1009376-75-3
MolecularFormula
C13H23NO4
MolecularWeight
257.32601999999997
MdlNumber
MFCD27997493
Smiles
COC(=O)[C@@H]1CC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity
321
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AI05112
ChemicalName: Trans-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
CasNumber: 1009376-75-3
MolecularFormula: C13H23NO4
MolecularWeight: 257.32601999999997
MdlNumber: MFCD27997493
Smiles: COC(=O)[C@@H]1CC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity: 321
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AI05112
ChemicalName:
Trans-6-methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
CasNumber:
1009376-75-3
MolecularFormula:
C13H23NO4
MolecularWeight:
257.32601999999997
MdlNumber:
MFCD27997493
Smiles:
COC(=O)[C@@H]1CC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity:
321
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H]1CC[C@H](NC1)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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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:
COC(=O)[C@H]1CC[C@H](NC1)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H]1CC[C@H](NC1)C.COC(=O)[C@@H]1CC[C@@H](NC1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H]1CC[C@H](NC1)C.COC(=O)[C@@H]1CC[C@@H](NC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)C(=O)N1CCNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)C(=O)N1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__