AA29034
1246609-06-2 | 1-Methylpiperazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA29034
ChemicalName
1-Methylpiperazine-2-carboxylic acid
CasNumber
1246609-06-2
MolecularFormula
C6H12N2O2
MolecularWeight
144.1717
MdlNumber
MFCD09029212
Smiles
CN1CCNCC1C(=O)O
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-3
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CatalogNumber: AA29034
ChemicalName: 1-Methylpiperazine-2-carboxylic acid
CasNumber: 1246609-06-2
MolecularFormula: C6H12N2O2
MolecularWeight: 144.1717
MdlNumber: MFCD09029212
Smiles: CN1CCNCC1C(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -3
CatalogNumber:
AA29034
ChemicalName:
1-Methylpiperazine-2-carboxylic acid
CasNumber:
1246609-06-2
MolecularFormula:
C6H12N2O2
MolecularWeight:
144.1717
MdlNumber:
MFCD09029212
Smiles:
CN1CCNCC1C(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-3
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Smiles: Brc1ccc(cc1)N(c1ccc2-c3c(C(c2c1)(C)C)cccc3)c1ccc(cc1)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
Brc1ccc(cc1)N(c1ccc2-c3c(C(c2c1)(C)C)cccc3)c1ccc(cc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
Complexity: __
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Smiles:
Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CC(=O)c1ccc(cc1O)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ccc(cc1O)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__