AI37664
158654-95-6 | tert-Butyl 4-hydroxy-4-(1h-imidazol-2-yl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI37664
ChemicalName
tert-Butyl 4-hydroxy-4-(1h-imidazol-2-yl)piperidine-1-carboxylate
CasNumber
158654-95-6
MolecularFormula
C13H21N3O3
MolecularWeight
267.3241
MdlNumber
MFCD27997366
Smiles
O=C(N1CCC(CC1)(O)c1ncc[nH]1)OC(C)(C)C
Complexity
333
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AI37664
ChemicalName: tert-Butyl 4-hydroxy-4-(1h-imidazol-2-yl)piperidine-1-carboxylate
CasNumber: 158654-95-6
MolecularFormula: C13H21N3O3
MolecularWeight: 267.3241
MdlNumber: MFCD27997366
Smiles: O=C(N1CCC(CC1)(O)c1ncc[nH]1)OC(C)(C)C
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AI37664
ChemicalName:
tert-Butyl 4-hydroxy-4-(1h-imidazol-2-yl)piperidine-1-carboxylate
CasNumber:
158654-95-6
MolecularFormula:
C13H21N3O3
MolecularWeight:
267.3241
MdlNumber:
MFCD27997366
Smiles:
O=C(N1CCC(CC1)(O)c1ncc[nH]1)OC(C)(C)C
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: AI37665
ChemicalName: 2-Chloro-5-phenyl-1H-pyrrole-3-carbonitrile
CasNumber: 158692-52-5
MolecularFormula: C11H7ClN2
MolecularWeight: 202.63968000000003
MdlNumber: MFCD24562363
Smiles: N#Cc1cc([nH]c1Cl)c1ccccc1
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AI37665
ChemicalName:
2-Chloro-5-phenyl-1H-pyrrole-3-carbonitrile
CasNumber:
158692-52-5
MolecularFormula:
C11H7ClN2
MolecularWeight:
202.63968000000003
MdlNumber:
MFCD24562363
Smiles:
N#Cc1cc([nH]c1Cl)c1ccccc1
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
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Smiles: Fc1ccc(cc1)NCn1nnc2c1cccc2
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Fc1ccc(cc1)NCn1nnc2c1cccc2
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Smiles: B(C1=CSC=C1CO)(O)O
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Smiles:
B(C1=CSC=C1CO)(O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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