AA54899
1219960-41-4 | 4-(3-Methyl-5-isoxazolyl)piperidine
Manufacturer: A2B Chem
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CatalogNumber
AA54899
ChemicalName
4-(3-Methyl-5-isoxazolyl)piperidine
CasNumber
1219960-41-4
MolecularFormula
C9H14N2O
MolecularWeight
166.2203
MdlNumber
MFCD13562917
Smiles
Cc1noc(c1)C1CCNCC1
Complexity
146
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AA54899
ChemicalName: 4-(3-Methyl-5-isoxazolyl)piperidine
CasNumber: 1219960-41-4
MolecularFormula: C9H14N2O
MolecularWeight: 166.2203
MdlNumber: MFCD13562917
Smiles: Cc1noc(c1)C1CCNCC1
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AA54899
ChemicalName:
4-(3-Methyl-5-isoxazolyl)piperidine
CasNumber:
1219960-41-4
MolecularFormula:
C9H14N2O
MolecularWeight:
166.2203
MdlNumber:
MFCD13562917
Smiles:
Cc1noc(c1)C1CCNCC1
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
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MolecularFormula: __
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Smiles: O=C1NCCN(C1)C1CNCC1.Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1NCCN(C1)C1CNCC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Brc1cnc(c(n1)OCc1ccccc1Cl)N
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
Brc1cnc(c(n1)OCc1ccccc1Cl)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__