AA25247
1228631-15-9 | 1'-(tert-Butoxycarbonyl)spiro[chroman-4,4'-piperidine]-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA25247
ChemicalName
1'-(tert-Butoxycarbonyl)spiro[chroman-4,4'-piperidine]-2-carboxylic acid
CasNumber
1228631-15-9
MolecularFormula
C19H24NO5
MolecularWeight
346.3976
MdlNumber
MFCD15530224
Smiles
[O-]C(=O)C1Oc2ccccc2C2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity
518
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AA25247
ChemicalName: 1'-(tert-Butoxycarbonyl)spiro[chroman-4,4'-piperidine]-2-carboxylic acid
CasNumber: 1228631-15-9
MolecularFormula: C19H24NO5
MolecularWeight: 346.3976
MdlNumber: MFCD15530224
Smiles: [O-]C(=O)C1Oc2ccccc2C2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 518
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AA25247
ChemicalName:
1'-(tert-Butoxycarbonyl)spiro[chroman-4,4'-piperidine]-2-carboxylic acid
CasNumber:
1228631-15-9
MolecularFormula:
C19H24NO5
MolecularWeight:
346.3976
MdlNumber:
MFCD15530224
Smiles:
[O-]C(=O)C1Oc2ccccc2C2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
518
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCN(CC1F)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCN(CC1F)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(CC1)CC(C(F)(F)F)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(CC1)CC(C(F)(F)F)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA25250
ChemicalName: tert-Butyl 4-nitropiperidine-1-carboxylate
CasNumber: 1228630-89-4
MolecularFormula: C10H18N2O4
MolecularWeight: 230.2609
MdlNumber: MFCD16618559
Smiles: O=C(N1CCC(CC1)[N+](=O)[O-])OC(C)(C)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AA25250
ChemicalName:
tert-Butyl 4-nitropiperidine-1-carboxylate
CasNumber:
1228630-89-4
MolecularFormula:
C10H18N2O4
MolecularWeight:
230.2609
MdlNumber:
MFCD16618559
Smiles:
O=C(N1CCC(CC1)[N+](=O)[O-])OC(C)(C)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4