AI10106
1160247-65-3 | tert-Butyl 3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI10106
ChemicalName
tert-Butyl 3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate
CasNumber
1160247-65-3
MolecularFormula
C18H26N2O2
MolecularWeight
302.4112
MdlNumber
MFCD12198629
Smiles
O=C(N1CCC2(CC1)NCCc1c2cccc1)OC(C)(C)C
Complexity
408
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI10106
ChemicalName: tert-Butyl 3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-65-3
MolecularFormula: C18H26N2O2
MolecularWeight: 302.4112
MdlNumber: MFCD12198629
Smiles: O=C(N1CCC2(CC1)NCCc1c2cccc1)OC(C)(C)C
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI10106
ChemicalName:
tert-Butyl 3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-65-3
MolecularFormula:
C18H26N2O2
MolecularWeight:
302.4112
MdlNumber:
MFCD12198629
Smiles:
O=C(N1CCC2(CC1)NCCc1c2cccc1)OC(C)(C)C
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AI10107
ChemicalName: tert-Butyl 7-methoxy-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-66-4
MolecularFormula: C19H28N2O3
MolecularWeight: 332.4372
MdlNumber: MFCD12198630
Smiles: COc1ccc2c(c1)C1(NCC2)CCN(CC1)C(=O)OC(C)(C)C
Complexity: 452
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AI10107
ChemicalName:
tert-Butyl 7-methoxy-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-66-4
MolecularFormula:
C19H28N2O3
MolecularWeight:
332.4372
MdlNumber:
MFCD12198630
Smiles:
COc1ccc2c(c1)C1(NCC2)CCN(CC1)C(=O)OC(C)(C)C
Complexity:
452
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AI10108
ChemicalName: tert-Butyl 2'-oxo-2',4'-dihydro-1'h-spiro[pyrrolidine-3,3'-quinoline]-1-carboxylate
CasNumber: 1160247-71-1
MolecularFormula: C17H22N2O3
MolecularWeight: 302.36818000000005
MdlNumber: MFCD12198632
Smiles: O=C(N1CCC2(C1)Cc1ccccc1NC2=O)OC(C)(C)C
Complexity: 471
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AI10108
ChemicalName:
tert-Butyl 2'-oxo-2',4'-dihydro-1'h-spiro[pyrrolidine-3,3'-quinoline]-1-carboxylate
CasNumber:
1160247-71-1
MolecularFormula:
C17H22N2O3
MolecularWeight:
302.36818000000005
MdlNumber:
MFCD12198632
Smiles:
O=C(N1CCC2(C1)Cc1ccccc1NC2=O)OC(C)(C)C
Complexity:
471
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
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Smiles: O=C(N1CCC2(CC1)CNc1c2c(Br)ccc1)OC(C)(C)C
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Smiles:
O=C(N1CCC2(CC1)CNc1c2c(Br)ccc1)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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