AI41238
1823389-58-7 | tert-Butyl 3-hydroxy-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI41238
ChemicalName
tert-Butyl 3-hydroxy-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
CasNumber
1823389-58-7
MolecularFormula
C12H23NO4
MolecularWeight
245.3153
MdlNumber
MFCD28119190
Smiles
OCC1(C)CCN(CC1O)C(=O)OC(C)(C)C
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.1
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CatalogNumber: AI41238
ChemicalName: tert-Butyl 3-hydroxy-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
CasNumber: 1823389-58-7
MolecularFormula: C12H23NO4
MolecularWeight: 245.3153
MdlNumber: MFCD28119190
Smiles: OCC1(C)CCN(CC1O)C(=O)OC(C)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.1
CatalogNumber:
AI41238
ChemicalName:
tert-Butyl 3-hydroxy-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
CasNumber:
1823389-58-7
MolecularFormula:
C12H23NO4
MolecularWeight:
245.3153
MdlNumber:
MFCD28119190
Smiles:
OCC1(C)CCN(CC1O)C(=O)OC(C)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1(C)CC(CN1C(=O)OC(C)(C)C)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OCC1(C)CC(CN1C(=O)OC(C)(C)C)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI41240
ChemicalName: Benzyl 5-(aminomethyl)-2-methylpiperidine-1-carboxylate hydrochloride
CasNumber: 1823395-48-7
MolecularFormula: C15H23ClN2O2
MolecularWeight: 298.8083
MdlNumber: MFCD28119109
Smiles: NCC1CCC(N(C1)C(=O)OCc1ccccc1)C.Cl
Complexity: 290
Covalently-bondedUnitCount: 2
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: __
CatalogNumber:
AI41240
ChemicalName:
Benzyl 5-(aminomethyl)-2-methylpiperidine-1-carboxylate hydrochloride
CasNumber:
1823395-48-7
MolecularFormula:
C15H23ClN2O2
MolecularWeight:
298.8083
MdlNumber:
MFCD28119109
Smiles:
NCC1CCC(N(C1)C(=O)OCc1ccccc1)C.Cl
Complexity:
290
Covalently-bondedUnitCount:
2
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OCc1ccccc1)NCC1CNCCC1(F)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OCc1ccccc1)NCC1CNCCC1(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__