AB76134
50585-89-2 | Methyl piperidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB76134
ChemicalName
Methyl piperidine-3-carboxylate
CasNumber
50585-89-2
MolecularFormula
C7H13NO2
MolecularWeight
143.1836
MdlNumber
MFCD00797850
Smiles
COC(=O)C1CCCNC1
NscNumber
522506
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.3
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CatalogNumber: AB76134
ChemicalName: Methyl piperidine-3-carboxylate
CasNumber: 50585-89-2
MolecularFormula: C7H13NO2
MolecularWeight: 143.1836
MdlNumber: MFCD00797850
Smiles: COC(=O)C1CCCNC1
NscNumber: 522506
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.3
CatalogNumber:
AB76134
ChemicalName:
Methyl piperidine-3-carboxylate
CasNumber:
50585-89-2
MolecularFormula:
C7H13NO2
MolecularWeight:
143.1836
MdlNumber:
MFCD00797850
Smiles:
COC(=O)C1CCCNC1
NscNumber:
522506
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.3
CatalogNumber: AB76135
ChemicalName: Methyl 4-piperidinecarboxylate, HCl
CasNumber: 7462-86-4
MolecularFormula: C7H14ClNO2
MolecularWeight: 179.6446
MdlNumber: MFCD02667641
Smiles: COC(=O)C1CCNCC1.Cl
NscNumber: 402200
Complexity: 119
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB76135
ChemicalName:
Methyl 4-piperidinecarboxylate, HCl
CasNumber:
7462-86-4
MolecularFormula:
C7H14ClNO2
MolecularWeight:
179.6446
MdlNumber:
MFCD02667641
Smiles:
COC(=O)C1CCNCC1.Cl
NscNumber:
402200
Complexity:
119
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB76136
ChemicalName: Methyl 4,4-dimethyl-3-oxopentanoate
CasNumber: 55107-14-7
MolecularFormula: C8H14O3
MolecularWeight: 158.195
MdlNumber: MFCD00008847
Smiles: COC(=O)CC(=O)C(C)(C)C
NscNumber: 246205
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AB76136
ChemicalName:
Methyl 4,4-dimethyl-3-oxopentanoate
CasNumber:
55107-14-7
MolecularFormula:
C8H14O3
MolecularWeight:
158.195
MdlNumber:
MFCD00008847
Smiles:
COC(=O)CC(=O)C(C)(C)C
NscNumber:
246205
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCC#C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCC#C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__