AI04957
1006044-27-4 | 1-tert-Butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI04957
ChemicalName
1-tert-Butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
CasNumber
1006044-27-4
MolecularFormula
C13H23NO5
MolecularWeight
273.3254
MdlNumber
MFCD21362367
Smiles
COC(=O)C1(CO)CCN(CC1)C(=O)OC(C)(C)C
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
0.6
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CatalogNumber: AI04957
ChemicalName: 1-tert-Butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
CasNumber: 1006044-27-4
MolecularFormula: C13H23NO5
MolecularWeight: 273.3254
MdlNumber: MFCD21362367
Smiles: COC(=O)C1(CO)CCN(CC1)C(=O)OC(C)(C)C
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AI04957
ChemicalName:
1-tert-Butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
CasNumber:
1006044-27-4
MolecularFormula:
C13H23NO5
MolecularWeight:
273.3254
MdlNumber:
MFCD21362367
Smiles:
COC(=O)C1(CO)CCN(CC1)C(=O)OC(C)(C)C
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCCCOc1ccc(cc1OCC)C(=O)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCOc1ccc(cc1OCC)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CN1C(=O)C2C(C1=O)C1CC2C=C1)C
Complexity: 355
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CN1C(=O)C2C(C1=O)C1CC2C=C1)C
Complexity:
355
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(c1ccccc1)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(c1ccccc1)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__