AI15078
1228631-81-9 | (3-Fluoro-piperidin-4-yl)-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI15078
ChemicalName
(3-Fluoro-piperidin-4-yl)-carbamic acid tert-butyl ester
CasNumber
1228631-81-9
MolecularFormula
C10H19FN2O2
MolecularWeight
218.26846320000004
MdlNumber
MFCD14706501
Smiles
O=C(OC(C)(C)C)NC1CCNCC1F
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.1
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CatalogNumber: AI15078
ChemicalName: (3-Fluoro-piperidin-4-yl)-carbamic acid tert-butyl ester
CasNumber: 1228631-81-9
MolecularFormula: C10H19FN2O2
MolecularWeight: 218.26846320000004
MdlNumber: MFCD14706501
Smiles: O=C(OC(C)(C)C)NC1CCNCC1F
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.1
CatalogNumber:
AI15078
ChemicalName:
(3-Fluoro-piperidin-4-yl)-carbamic acid tert-butyl ester
CasNumber:
1228631-81-9
MolecularFormula:
C10H19FN2O2
MolecularWeight:
218.26846320000004
MdlNumber:
MFCD14706501
Smiles:
O=C(OC(C)(C)C)NC1CCNCC1F
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.1
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Smiles: CC(C)(C)OC(=O)N1CC(C(C1)C(=O)OC)C2=C(N=C(C=C2)N3CCC(C3)CO)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)OC)C2=C(N=C(C=C2)N3CCC(C3)CO)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COC(=O)[C@@H]1CN(C[C@H]1c1ccc(nc1F)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)Cc1ccccc1
Complexity: __
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Smiles:
COC(=O)[C@@H]1CN(C[C@H]1c1ccc(nc1F)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Fc1nc(cc(c1)C#C[Si](C)(C)C)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1nc(cc(c1)C#C[Si](C)(C)C)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__