AA25263
122860-33-7 | benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA25263
ChemicalName
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CasNumber
122860-33-7
MolecularFormula
C14H19NO3
MolecularWeight
249.3055600000001
MdlNumber
MFCD11105988
Smiles
OCC1CCN(CC1)C(=O)OCc1ccccc1
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AA25263
ChemicalName: benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CasNumber: 122860-33-7
MolecularFormula: C14H19NO3
MolecularWeight: 249.3055600000001
MdlNumber: MFCD11105988
Smiles: OCC1CCN(CC1)C(=O)OCc1ccccc1
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AA25263
ChemicalName:
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CasNumber:
122860-33-7
MolecularFormula:
C14H19NO3
MolecularWeight:
249.3055600000001
MdlNumber:
MFCD11105988
Smiles:
OCC1CCN(CC1)C(=O)OCc1ccccc1
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: AA25265
ChemicalName: 1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
CasNumber: 1228780-72-0
MolecularFormula: C19H27ClN2
MolecularWeight: 318.8841
MdlNumber: MFCD28129720
Smiles: Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCNCC1
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AA25265
ChemicalName:
1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
CasNumber:
1228780-72-0
MolecularFormula:
C19H27ClN2
MolecularWeight:
318.8841
MdlNumber:
MFCD28129720
Smiles:
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCNCC1
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
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Smiles: [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)N
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Smiles:
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)N
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Smiles: Ic1ccc2c(c1)C(=O)N(C2)C
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Smiles:
Ic1ccc2c(c1)C(=O)N(C2)C
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HydrogenBondAcceptorCount:
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