AG22937
53345-16-7 | 1-(2-Pyridin-4-yl-ethyl)-piperazine
Manufacturer: A2B Chem
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CatalogNumber
AG22937
ChemicalName
1-(2-Pyridin-4-yl-ethyl)-piperazine
CasNumber
53345-16-7
MolecularFormula
C11H17N3
MolecularWeight
191.2728
MdlNumber
MFCD03094584
Smiles
N1CCN(CC1)CCc1ccncc1
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AG22937
ChemicalName: 1-(2-Pyridin-4-yl-ethyl)-piperazine
CasNumber: 53345-16-7
MolecularFormula: C11H17N3
MolecularWeight: 191.2728
MdlNumber: MFCD03094584
Smiles: N1CCN(CC1)CCc1ccncc1
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AG22937
ChemicalName:
1-(2-Pyridin-4-yl-ethyl)-piperazine
CasNumber:
53345-16-7
MolecularFormula:
C11H17N3
MolecularWeight:
191.2728
MdlNumber:
MFCD03094584
Smiles:
N1CCN(CC1)CCc1ccncc1
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc2c(c1)nc(s2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc2c(c1)nc(s2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1CC[C@H](P1[C-]12[CH]3=[CH]4[Fe+2]5678923([CH]1=[CH]45)[C-]1(P2[C@H](C)CC[C@H]2C)[CH]6=[CH]8[CH]9=[CH]71)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1CC[C@H](P1[C-]12[CH]3=[CH]4[Fe+2]5678923([CH]1=[CH]45)[C-]1(P2[C@H](C)CC[C@H]2C)[CH]6=[CH]8[CH]9=[CH]71)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)O[C@H]1[C@@H](COC(=O)c2ccccc2)OC([C@@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1
Complexity: 911
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 7.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)O[C@H]1[C@@H](COC(=O)c2ccccc2)OC([C@@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1
Complexity:
911
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
7.3