AB42158
309915-46-6 | (2R,5S)-tert-Butyl 2,5-dimethylpiperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB42158
ChemicalName
(2R,5S)-tert-Butyl 2,5-dimethylpiperazine-1-carboxylate
CasNumber
309915-46-6
MolecularFormula
C11H22N2O2
MolecularWeight
214.3046
MdlNumber
MFCD06797728
Smiles
C[C@@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity
235
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB42158
ChemicalName: (2R,5S)-tert-Butyl 2,5-dimethylpiperazine-1-carboxylate
CasNumber: 309915-46-6
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD06797728
Smiles: C[C@@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity: 235
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB42158
ChemicalName:
(2R,5S)-tert-Butyl 2,5-dimethylpiperazine-1-carboxylate
CasNumber:
309915-46-6
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD06797728
Smiles:
C[C@@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C
Complexity:
235
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
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Smiles: Fc1ccc(cc1)CN1CCNCC1=O
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Smiles:
Fc1ccc(cc1)CN1CCNCC1=O
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Smiles: COC(=O)c1cc2c(SC)c[nH]c2cc1Cl
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Smiles:
COC(=O)c1cc2c(SC)c[nH]c2cc1Cl
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Smiles: Fc1ccc(cc1)CN1C[C@H](C)N(C[C@H]1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)CN1C[C@H](C)N(C[C@H]1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__