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889849-93-8 molecular structure
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1-(pyrrolidine-1-carbonyl)piperidin-4-amine

ChemBase ID: 309460
Molecular Formular: C10H19N3O
Molecular Mass: 197.27736
Monoisotopic Mass: 197.15281224
SMILES and InChIs

SMILES:
C(=O)(N1CCC(CC1)N)N1CCCC1
Canonical SMILES:
NC1CCN(CC1)C(=O)N1CCCC1
InChI:
InChI=1S/C10H19N3O/c11-9-3-7-13(8-4-9)10(14)12-5-1-2-6-12/h9H,1-8,11H2
InChIKey:
KOQNTUSATKDXGQ-UHFFFAOYSA-N

Cite this record

CBID:309460 http://www.chembase.cn/molecule-309460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyrrolidine-1-carbonyl)piperidin-4-amine
IUPAC Traditional name
1-(pyrrolidine-1-carbonyl)piperidin-4-amine
Synonyms
1-(1-pyrrolidinylcarbonyl)-4-piperidinamine
CAS Number
889849-93-8
MDL Number
MFCD14702924

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.8699796  LogD (pH = 7.4) -3.3010113 
Log P -0.8521543  Molar Refractivity 55.6522 cm3
Polarizability 21.566858 Å3 Polar Surface Area 49.57 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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