AE18506
1095010-44-8 | Methyl 5-hydroxypiperidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE18506
ChemicalName
Methyl 5-hydroxypiperidine-3-carboxylate
CasNumber
1095010-44-8
MolecularFormula
C7H13NO3
MolecularWeight
159.183
MdlNumber
MFCD11656767
Smiles
COC(=O)C1CNCC(C1)O
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
-0.8
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CatalogNumber: AE18506
ChemicalName: Methyl 5-hydroxypiperidine-3-carboxylate
CasNumber: 1095010-44-8
MolecularFormula: C7H13NO3
MolecularWeight: 159.183
MdlNumber: MFCD11656767
Smiles: COC(=O)C1CNCC(C1)O
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: -0.8
CatalogNumber:
AE18506
ChemicalName:
Methyl 5-hydroxypiperidine-3-carboxylate
CasNumber:
1095010-44-8
MolecularFormula:
C7H13NO3
MolecularWeight:
159.183
MdlNumber:
MFCD11656767
Smiles:
COC(=O)C1CNCC(C1)O
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
-0.8
CatalogNumber: AE18507
ChemicalName: tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate
CasNumber: 1209780-71-1
MolecularFormula: C10H17F2NO3
MolecularWeight: 237.2437
MdlNumber: MFCD16250751
Smiles: O=C(N1CCC(C(C1)(F)F)O)OC(C)(C)C
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AE18507
ChemicalName:
tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate
CasNumber:
1209780-71-1
MolecularFormula:
C10H17F2NO3
MolecularWeight:
237.2437
MdlNumber:
MFCD16250751
Smiles:
O=C(N1CCC(C(C1)(F)F)O)OC(C)(C)C
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: AE18508
ChemicalName: tert-Butyl 3-bromoazetidine-1-carboxylate
CasNumber: 1064194-10-0
MolecularFormula: C8H14BrNO2
MolecularWeight: 236.1063
MdlNumber: MFCD16658899
Smiles: BrC1CN(C1)C(=O)OC(C)(C)C
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AE18508
ChemicalName:
tert-Butyl 3-bromoazetidine-1-carboxylate
CasNumber:
1064194-10-0
MolecularFormula:
C8H14BrNO2
MolecularWeight:
236.1063
MdlNumber:
MFCD16658899
Smiles:
BrC1CN(C1)C(=O)OC(C)(C)C
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: AE18509
ChemicalName: tert-Butyl 4-bromo-3-fluorobenzoate
CasNumber: 1057961-75-7
MolecularFormula: C11H12BrFO2
MolecularWeight: 275.1142
MdlNumber: MFCD08703424
Smiles: O=C(c1ccc(c(c1)F)Br)OC(C)(C)C
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 3.6
CatalogNumber:
AE18509
ChemicalName:
tert-Butyl 4-bromo-3-fluorobenzoate
CasNumber:
1057961-75-7
MolecularFormula:
C11H12BrFO2
MolecularWeight:
275.1142
MdlNumber:
MFCD08703424
Smiles:
O=C(c1ccc(c(c1)F)Br)OC(C)(C)C
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.6