AC05465
874831-60-4 | (3-Piperazin-1-yl-propyl)-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AC05465
ChemicalName
(3-Piperazin-1-yl-propyl)-carbamic acid tert-butyl ester
CasNumber
874831-60-4
MolecularFormula
C12H25N3O2
MolecularWeight
243.3458
MdlNumber
MFCD06808577
Smiles
O=C(OC(C)(C)C)NCCCN1CCNCC1
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
0.7
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CatalogNumber: AC05465
ChemicalName: (3-Piperazin-1-yl-propyl)-carbamic acid tert-butyl ester
CasNumber: 874831-60-4
MolecularFormula: C12H25N3O2
MolecularWeight: 243.3458
MdlNumber: MFCD06808577
Smiles: O=C(OC(C)(C)C)NCCCN1CCNCC1
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 0.7
CatalogNumber:
AC05465
ChemicalName:
(3-Piperazin-1-yl-propyl)-carbamic acid tert-butyl ester
CasNumber:
874831-60-4
MolecularFormula:
C12H25N3O2
MolecularWeight:
243.3458
MdlNumber:
MFCD06808577
Smiles:
O=C(OC(C)(C)C)NCCCN1CCNCC1
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Nc1cc(cc(c1)C(F)(F)F)C(=O)N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
Nc1cc(cc(c1)C(F)(F)F)C(=O)N1CCOCC1
Complexity:
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Smiles: Nc1ccnc2c1c(F)ccc2F
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Smiles:
Nc1ccnc2c1c(F)ccc2F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCC[n+]1ccccc1.[I-]
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCC[n+]1ccccc1.[I-]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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