AI49872
403802-41-5 | tert-Butyl 4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI49872
ChemicalName
tert-Butyl 4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate
CasNumber
403802-41-5
MolecularFormula
C13H21NO3
MolecularWeight
239.31073999999995
MdlNumber
MFCD24469756
Smiles
OCC#CC1CCN(CC1)C(=O)OC(C)(C)C
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AI49872
ChemicalName: tert-Butyl 4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate
CasNumber: 403802-41-5
MolecularFormula: C13H21NO3
MolecularWeight: 239.31073999999995
MdlNumber: MFCD24469756
Smiles: OCC#CC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AI49872
ChemicalName:
tert-Butyl 4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate
CasNumber:
403802-41-5
MolecularFormula:
C13H21NO3
MolecularWeight:
239.31073999999995
MdlNumber:
MFCD24469756
Smiles:
OCC#CC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
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Smiles: O=C(OC(C)(C)C)N[C@H]1[C@H](N)Cc2c1cccc2
Complexity: __
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Smiles:
O=C(OC(C)(C)C)N[C@H]1[C@H](N)Cc2c1cccc2
Complexity:
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Smiles: [O-][N+](=O)c1ccc(cc1N)N1CCSCC1
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Smiles:
[O-][N+](=O)c1ccc(cc1N)N1CCSCC1
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Smiles: COc1ccc(cc1)C(=O)c1ccc(cc1O)N1CCOCC1
Complexity: __
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Smiles:
COc1ccc(cc1)C(=O)c1ccc(cc1O)N1CCOCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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