AI52646
5632-70-2 | Ethyl 6-oxo-3-phenylpiperidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI52646
ChemicalName
Ethyl 6-oxo-3-phenylpiperidine-3-carboxylate
CasNumber
5632-70-2
MolecularFormula
C14H17NO3
MolecularWeight
247.2897
MdlNumber
MFCD28992222
Smiles
CCOC(=O)C1(CCC(=O)NC1)c1ccccc1
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AI52646
ChemicalName: Ethyl 6-oxo-3-phenylpiperidine-3-carboxylate
CasNumber: 5632-70-2
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD28992222
Smiles: CCOC(=O)C1(CCC(=O)NC1)c1ccccc1
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AI52646
ChemicalName:
Ethyl 6-oxo-3-phenylpiperidine-3-carboxylate
CasNumber:
5632-70-2
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD28992222
Smiles:
CCOC(=O)C1(CCC(=O)NC1)c1ccccc1
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC2CCC(C1)N2
Complexity: 130
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC2CCC(C1)N2
Complexity:
130
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)O.CSCC[C@@H](C(=O)O[Zn+])N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)O.CSCC[C@@H](C(=O)O[Zn+])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI52651
ChemicalName: 4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CasNumber: 5633-20-5
MolecularFormula: C22H31NO3
MolecularWeight: 357.4864
MdlNumber: MFCD00865252
Smiles: CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
Complexity: 490
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.2
CatalogNumber:
AI52651
ChemicalName:
4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CasNumber:
5633-20-5
MolecularFormula:
C22H31NO3
MolecularWeight:
357.4864
MdlNumber:
MFCD00865252
Smiles:
CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
Complexity:
490
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.2