AB49375
278788-66-2 | tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB49375
ChemicalName
tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
CasNumber
278788-66-2
MolecularFormula
C10H20N2O3
MolecularWeight
216.2774
MdlNumber
MFCD05863888
Smiles
OC[C@@H]1NCCN(C1)C(=O)OC(C)(C)C
Complexity
225
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-0.2
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CatalogNumber: AB49375
ChemicalName: tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
CasNumber: 278788-66-2
MolecularFormula: C10H20N2O3
MolecularWeight: 216.2774
MdlNumber: MFCD05863888
Smiles: OC[C@@H]1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 225
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -0.2
CatalogNumber:
AB49375
ChemicalName:
tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
CasNumber:
278788-66-2
MolecularFormula:
C10H20N2O3
MolecularWeight:
216.2774
MdlNumber:
MFCD05863888
Smiles:
OC[C@@H]1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
225
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)C)S(=O)(=O)Cl
Complexity: 242
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)C)S(=O)(=O)Cl
Complexity:
242
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(CO)CCO1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(CO)CCO1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49378
ChemicalName: 2-(3-Chlorophenyl)pyrrolidine
CasNumber: 298690-74-1
MolecularFormula: C10H12ClN
MolecularWeight: 181.662
MdlNumber: MFCD02663429
Smiles: Clc1cccc(c1)C1CCCN1
Complexity: 149
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB49378
ChemicalName:
2-(3-Chlorophenyl)pyrrolidine
CasNumber:
298690-74-1
MolecularFormula:
C10H12ClN
MolecularWeight:
181.662
MdlNumber:
MFCD02663429
Smiles:
Clc1cccc(c1)C1CCCN1
Complexity:
149
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4