AI10100
1160247-58-4 | tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI10100
ChemicalName
tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber
1160247-58-4
MolecularFormula
C18H25BrN2O2
MolecularWeight
381.3073
MdlNumber
MFCD12198616
Smiles
O=C(N1CCC2(CC1)CC(c1c2c(Br)ccc1)N)OC(C)(C)C
Complexity
454
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AI10100
ChemicalName: tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-58-4
MolecularFormula: C18H25BrN2O2
MolecularWeight: 381.3073
MdlNumber: MFCD12198616
Smiles: O=C(N1CCC2(CC1)CC(c1c2c(Br)ccc1)N)OC(C)(C)C
Complexity: 454
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AI10100
ChemicalName:
tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-58-4
MolecularFormula:
C18H25BrN2O2
MolecularWeight:
381.3073
MdlNumber:
MFCD12198616
Smiles:
O=C(N1CCC2(CC1)CC(c1c2c(Br)ccc1)N)OC(C)(C)C
Complexity:
454
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
CatalogNumber: AI10101
ChemicalName: tert-Butyl 6-fluorospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-59-5
MolecularFormula: C18H22FNO2
MolecularWeight: 303.3712
MdlNumber: MFCD12198617
Smiles: Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Complexity: 460
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 4
CatalogNumber:
AI10101
ChemicalName:
tert-Butyl 6-fluorospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-59-5
MolecularFormula:
C18H22FNO2
MolecularWeight:
303.3712
MdlNumber:
MFCD12198617
Smiles:
Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Complexity:
460
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)C=CC12CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)C=CC12CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI10103
ChemicalName: tert-Butyl 6-methoxyspiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-61-9
MolecularFormula: C19H25NO3
MolecularWeight: 315.4067
MdlNumber: MFCD12198621
Smiles: COc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Complexity: 472
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 3.9
CatalogNumber:
AI10103
ChemicalName:
tert-Butyl 6-methoxyspiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-61-9
MolecularFormula:
C19H25NO3
MolecularWeight:
315.4067
MdlNumber:
MFCD12198621
Smiles:
COc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Complexity:
472
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.9