AV18568
1823803-41-3 | Benzyl 5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18568
ChemicalName
Benzyl 5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
CasNumber
1823803-41-3
MolecularFormula
C15H21NO3
MolecularWeight
263.3321
MdlNumber
MFCD27997527
Smiles
OCC1CCC(N(C1)C(=O)OCc1ccccc1)C
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2.1
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CatalogNumber: AV18568
ChemicalName: Benzyl 5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
CasNumber: 1823803-41-3
MolecularFormula: C15H21NO3
MolecularWeight: 263.3321
MdlNumber: MFCD27997527
Smiles: OCC1CCC(N(C1)C(=O)OCc1ccccc1)C
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.1
CatalogNumber:
AV18568
ChemicalName:
Benzyl 5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
CasNumber:
1823803-41-3
MolecularFormula:
C15H21NO3
MolecularWeight:
263.3321
MdlNumber:
MFCD27997527
Smiles:
OCC1CCC(N(C1)C(=O)OCc1ccccc1)C
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.1
CatalogNumber: AV18569
ChemicalName: Ethyl 3-amino-4-cyanobenzoate
CasNumber: 1034470-00-2
MolecularFormula: C10H10N2O2
MolecularWeight: 190.1986
MdlNumber: MFCD20702986
Smiles: CCOC(=O)c1ccc(c(c1)N)C#N
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AV18569
ChemicalName:
Ethyl 3-amino-4-cyanobenzoate
CasNumber:
1034470-00-2
MolecularFormula:
C10H10N2O2
MolecularWeight:
190.1986
MdlNumber:
MFCD20702986
Smiles:
CCOC(=O)c1ccc(c(c1)N)C#N
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1cc(F)ccc1C
Complexity: 390
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1cc(F)ccc1C
Complexity:
390
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)/C=C/c1cccc(c1)B(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)/C=C/c1cccc(c1)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__