AI36852
15136-26-2 | (S,S)-3-Isopropyl-6-methylpiperazine-2,5-dione
Manufacturer: A2B Chem
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CatalogNumber
AI36852
ChemicalName
(S,S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CasNumber
15136-26-2
MolecularFormula
C8H14N2O2
MolecularWeight
170.209
MdlNumber
MFCD24549359
Smiles
C[C@@H]1NC(=O)[C@@H](NC1=O)C(C)C
Complexity
213
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AI36852
ChemicalName: (S,S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CasNumber: 15136-26-2
MolecularFormula: C8H14N2O2
MolecularWeight: 170.209
MdlNumber: MFCD24549359
Smiles: C[C@@H]1NC(=O)[C@@H](NC1=O)C(C)C
Complexity: 213
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AI36852
ChemicalName:
(S,S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CasNumber:
15136-26-2
MolecularFormula:
C8H14N2O2
MolecularWeight:
170.209
MdlNumber:
MFCD24549359
Smiles:
C[C@@H]1NC(=O)[C@@H](NC1=O)C(C)C
Complexity:
213
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccccc1C1(O)CCNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccccc1C1(O)CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI36854
ChemicalName: N-(Imino(piperidin-1-yl)methyl)piperidine-1-carboximidamide
CasNumber: 1513873-32-9
MolecularFormula: C12H23N5
MolecularWeight: 237.3445
MdlNumber: MFCD29917060
Smiles: N=C(N1CCCCC1)NC(=N)N1CCCCC1
Complexity: 287
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AI36854
ChemicalName:
N-(Imino(piperidin-1-yl)methyl)piperidine-1-carboximidamide
CasNumber:
1513873-32-9
MolecularFormula:
C12H23N5
MolecularWeight:
237.3445
MdlNumber:
MFCD29917060
Smiles:
N=C(N1CCCCC1)NC(=N)N1CCCCC1
Complexity:
287
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1[nH]c2c(n1)cc(c(c2)F)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1[nH]c2c(n1)cc(c(c2)F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__