AA54866
1219832-36-6 | 3-Aminomethyl-3-fluoropiperidine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA54866
ChemicalName
3-Aminomethyl-3-fluoropiperidine-1-carboxylic acid tert-butyl ester
CasNumber
1219832-36-6
MolecularFormula
C11H21FN2O2
MolecularWeight
232.295
MdlNumber
MFCD18375048
Smiles
NCC1(F)CCCN(C1)C(=O)OC(C)(C)C
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AA54866
ChemicalName: 3-Aminomethyl-3-fluoropiperidine-1-carboxylic acid tert-butyl ester
CasNumber: 1219832-36-6
MolecularFormula: C11H21FN2O2
MolecularWeight: 232.295
MdlNumber: MFCD18375048
Smiles: NCC1(F)CCCN(C1)C(=O)OC(C)(C)C
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AA54866
ChemicalName:
3-Aminomethyl-3-fluoropiperidine-1-carboxylic acid tert-butyl ester
CasNumber:
1219832-36-6
MolecularFormula:
C11H21FN2O2
MolecularWeight:
232.295
MdlNumber:
MFCD18375048
Smiles:
NCC1(F)CCCN(C1)C(=O)OC(C)(C)C
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: AA54867
ChemicalName: tert-Butyl 3-cyano-3-hydroxypiperidine-1-carboxylate
CasNumber: 1219832-34-4
MolecularFormula: C11H18N2O3
MolecularWeight: 226.2722
MdlNumber: MFCD21362392
Smiles: N#CC1(O)CCCN(C1)C(=O)OC(C)(C)C
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AA54867
ChemicalName:
tert-Butyl 3-cyano-3-hydroxypiperidine-1-carboxylate
CasNumber:
1219832-34-4
MolecularFormula:
C11H18N2O3
MolecularWeight:
226.2722
MdlNumber:
MFCD21362392
Smiles:
N#CC1(O)CCCN(C1)C(=O)OC(C)(C)C
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: AA54868
ChemicalName: 1-(Ethanesulfonyl)azetidine-3-carboxylic acid
CasNumber: 1219828-33-7
MolecularFormula: C6H11NO4S
MolecularWeight: 193.2208
MdlNumber: MFCD16653315
Smiles: CCS(=O)(=O)N1CC(C1)C(=O)O
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: -0.8
CatalogNumber:
AA54868
ChemicalName:
1-(Ethanesulfonyl)azetidine-3-carboxylic acid
CasNumber:
1219828-33-7
MolecularFormula:
C6H11NO4S
MolecularWeight:
193.2208
MdlNumber:
MFCD16653315
Smiles:
CCS(=O)(=O)N1CC(C1)C(=O)O
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CN(C1)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CN(C1)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__