AI41288
1823835-83-1 | Benzyl 3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI41288
ChemicalName
Benzyl 3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CasNumber
1823835-83-1
MolecularFormula
C15H21NO3
MolecularWeight
263.33214000000004
MdlNumber
MFCD28119186
Smiles
OCC1CC(C)CN(C1)C(=O)OCc1ccccc1
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2.1
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CatalogNumber: AI41288
ChemicalName: Benzyl 3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CasNumber: 1823835-83-1
MolecularFormula: C15H21NO3
MolecularWeight: 263.33214000000004
MdlNumber: MFCD28119186
Smiles: OCC1CC(C)CN(C1)C(=O)OCc1ccccc1
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.1
CatalogNumber:
AI41288
ChemicalName:
Benzyl 3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CasNumber:
1823835-83-1
MolecularFormula:
C15H21NO3
MolecularWeight:
263.33214000000004
MdlNumber:
MFCD28119186
Smiles:
OCC1CC(C)CN(C1)C(=O)OCc1ccccc1
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.1
CatalogNumber: AI41289
ChemicalName: 5-tert-Butyl 7-ethyl 6,7-dihydropyrazolo[1,5-a]pyrazine-5,7(4h)-dicarboxylate
CasNumber: 1823856-54-7
MolecularFormula: C14H21N3O4
MolecularWeight: 295.3342
MdlNumber: MFCD28119022
Smiles: CCOC(=O)C1CN(Cc2n1ncc2)C(=O)OC(C)(C)C
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AI41289
ChemicalName:
5-tert-Butyl 7-ethyl 6,7-dihydropyrazolo[1,5-a]pyrazine-5,7(4h)-dicarboxylate
CasNumber:
1823856-54-7
MolecularFormula:
C14H21N3O4
MolecularWeight:
295.3342
MdlNumber:
MFCD28119022
Smiles:
CCOC(=O)C1CN(Cc2n1ncc2)C(=O)OC(C)(C)C
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: AI41290
ChemicalName: tert-Butyl 7-(hydroxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4h)-carboxylate
CasNumber: 1823856-64-9
MolecularFormula: C12H19N3O3
MolecularWeight: 253.29755999999998
MdlNumber: MFCD28119016
Smiles: OCC1CN(Cc2n1ncc2)C(=O)OC(C)(C)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: __
CatalogNumber:
AI41290
ChemicalName:
tert-Butyl 7-(hydroxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4h)-carboxylate
CasNumber:
1823856-64-9
MolecularFormula:
C12H19N3O3
MolecularWeight:
253.29755999999998
MdlNumber:
MFCD28119016
Smiles:
OCC1CN(Cc2n1ncc2)C(=O)OC(C)(C)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCC(NC1)CNC(=O)OCc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCC(NC1)CNC(=O)OCc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__