AI34231
1403898-64-5 | (2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI34231
ChemicalName
(2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CasNumber
1403898-64-5
MolecularFormula
C11H22N2O3
MolecularWeight
230.304
MdlNumber
MFCD28100885
Smiles
OC[C@@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity
250
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.3
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CatalogNumber: AI34231
ChemicalName: (2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CasNumber: 1403898-64-5
MolecularFormula: C11H22N2O3
MolecularWeight: 230.304
MdlNumber: MFCD28100885
Smiles: OC[C@@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity: 250
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AI34231
ChemicalName:
(2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CasNumber:
1403898-64-5
MolecularFormula:
C11H22N2O3
MolecularWeight:
230.304
MdlNumber:
MFCD28100885
Smiles:
OC[C@@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity:
250
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ncc2c(c1)NC(=O)C2(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ncc2c(c1)NC(=O)C2(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)CNc2c1cnc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)CNc2c1cnc(c2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI34235
ChemicalName: tert-Butyl 6-bromo-3,3-dimethyl-1h,2h,3h-pyrrolo[3,2-b]pyridine-1-carboxylate
CasNumber: 1403901-49-4
MolecularFormula: C14H19BrN2O2
MolecularWeight: 327.2169
MdlNumber: MFCD24857263
Smiles: O=C(N1CC(c2c1cc(Br)cn2)(C)C)OC(C)(C)C
Complexity: 365
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AI34235
ChemicalName:
tert-Butyl 6-bromo-3,3-dimethyl-1h,2h,3h-pyrrolo[3,2-b]pyridine-1-carboxylate
CasNumber:
1403901-49-4
MolecularFormula:
C14H19BrN2O2
MolecularWeight:
327.2169
MdlNumber:
MFCD24857263
Smiles:
O=C(N1CC(c2c1cc(Br)cn2)(C)C)OC(C)(C)C
Complexity:
365
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.2