AA54166
1217779-31-1 | (S)-Benzyl 3-benzylpiperazine-1-carboxylate hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AA54166
ChemicalName
(S)-Benzyl 3-benzylpiperazine-1-carboxylate hydrochloride
CasNumber
1217779-31-1
MolecularFormula
C19H23ClN2O2
MolecularWeight
346.8511
MdlNumber
MFCD11101277
Smiles
O=C(N1CCN[C@H](C1)Cc1ccccc1)OCc1ccccc1.Cl
Complexity
362
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
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CatalogNumber: AA54166
ChemicalName: (S)-Benzyl 3-benzylpiperazine-1-carboxylate hydrochloride
CasNumber: 1217779-31-1
MolecularFormula: C19H23ClN2O2
MolecularWeight: 346.8511
MdlNumber: MFCD11101277
Smiles: O=C(N1CCN[C@H](C1)Cc1ccccc1)OCc1ccccc1.Cl
Complexity: 362
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AA54166
ChemicalName:
(S)-Benzyl 3-benzylpiperazine-1-carboxylate hydrochloride
CasNumber:
1217779-31-1
MolecularFormula:
C19H23ClN2O2
MolecularWeight:
346.8511
MdlNumber:
MFCD11101277
Smiles:
O=C(N1CCN[C@H](C1)Cc1ccccc1)OCc1ccccc1.Cl
Complexity:
362
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
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Smiles: O=C(OC(C)(C)C)NC[C@@H]1CCCNC1.Cl
Complexity: __
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Smiles:
O=C(OC(C)(C)C)NC[C@@H]1CCCNC1.Cl
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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Smiles: Clc1ccc(cc1)C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)[O-]
Complexity: __
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Smiles:
Clc1ccc(cc1)C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)C(F)(F)F)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)C(F)(F)F)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__