AA75663
150349-65-8 | tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA75663
ChemicalName
tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate
CasNumber
150349-65-8
MolecularFormula
C13H26N2O2
MolecularWeight
242.3577
MdlNumber
MFCD08234497
Smiles
NCCCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.6
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CatalogNumber: AA75663
ChemicalName: tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate
CasNumber: 150349-65-8
MolecularFormula: C13H26N2O2
MolecularWeight: 242.3577
MdlNumber: MFCD08234497
Smiles: NCCCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.6
CatalogNumber:
AA75663
ChemicalName:
tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate
CasNumber:
150349-65-8
MolecularFormula:
C13H26N2O2
MolecularWeight:
242.3577
MdlNumber:
MFCD08234497
Smiles:
NCCCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.6
CatalogNumber: AA75664
ChemicalName: N-(3-Aminopropyl)-n-methylcarbamic acid tert-butyl ester
CasNumber: 150349-36-3
MolecularFormula: C9H20N2O2
MolecularWeight: 188.2673
MdlNumber: MFCD01631189
Smiles: NCCCN(C(=O)OC(C)(C)C)C
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.5
CatalogNumber:
AA75664
ChemicalName:
N-(3-Aminopropyl)-n-methylcarbamic acid tert-butyl ester
CasNumber:
150349-36-3
MolecularFormula:
C9H20N2O2
MolecularWeight:
188.2673
MdlNumber:
MFCD01631189
Smiles:
NCCCN(C(=O)OC(C)(C)C)C
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.5
CatalogNumber: __
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Smiles: CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc(cc2)C(=O)ON2C(=O)CCC2=O)ccc(c1)OC(=O)C.CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)C(=O)ON2C(=O)CCC2=O)ccc(c1)OC(=O)C
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Smiles:
CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc(cc2)C(=O)ON2C(=O)CCC2=O)ccc(c1)OC(=O)C.CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)C(=O)ON2C(=O)CCC2=O)ccc(c1)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc(cc2)C(=O)O)ccc(c1)N(C)C)C.O=C1OC2(c3c1cc(cc3)C(=O)O)c1ccc(cc1Oc1c2ccc(c1)N(C)C)N(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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MolecularFormula:
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Smiles:
CN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc(cc2)C(=O)O)ccc(c1)N(C)C)C.O=C1OC2(c3c1cc(cc3)C(=O)O)c1ccc(cc1Oc1c2ccc(c1)N(C)C)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__