AV18311
1353629-99-8 | 1-((Benzyloxy)carbonyl)-4-methylpiperidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18311
ChemicalName
1-((Benzyloxy)carbonyl)-4-methylpiperidine-2-carboxylic acid
CasNumber
1353629-99-8
MolecularFormula
C15H19NO4
MolecularWeight
277.3157
MdlNumber
MFCD10688366
Smiles
CC1CCN(C(C1)C(=O)O)C(=O)OCc1ccccc1
Complexity
352
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2.5
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CatalogNumber: AV18311
ChemicalName: 1-((Benzyloxy)carbonyl)-4-methylpiperidine-2-carboxylic acid
CasNumber: 1353629-99-8
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD10688366
Smiles: CC1CCN(C(C1)C(=O)O)C(=O)OCc1ccccc1
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.5
CatalogNumber:
AV18311
ChemicalName:
1-((Benzyloxy)carbonyl)-4-methylpiperidine-2-carboxylic acid
CasNumber:
1353629-99-8
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD10688366
Smiles:
CC1CCN(C(C1)C(=O)O)C(=O)OCc1ccccc1
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.5
CatalogNumber: AV18313
ChemicalName: 3-Bromo-2,4-dimethylphenol
CasNumber: 74571-81-6
MolecularFormula: C8H9BrO
MolecularWeight: 201.0605
MdlNumber: MFCD24714037
Smiles: Oc1ccc(c(c1C)Br)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AV18313
ChemicalName:
3-Bromo-2,4-dimethylphenol
CasNumber:
74571-81-6
MolecularFormula:
C8H9BrO
MolecularWeight:
201.0605
MdlNumber:
MFCD24714037
Smiles:
Oc1ccc(c(c1C)Br)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(nc1Cl)CO
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(nc1Cl)CO
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCn2c(C1)cc(n2)I)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCn2c(C1)cc(n2)I)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__