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889950-72-5 molecular structure
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1-(piperidin-4-yl)piperidine-3-carboxylic acid

ChemBase ID: 309379
Molecular Formular: C11H20N2O2
Molecular Mass: 212.2887
Monoisotopic Mass: 212.15247789
SMILES and InChIs

SMILES:
N1(CC(C(=O)O)CCC1)C1CCNCC1
Canonical SMILES:
OC(=O)C1CCCN(C1)C1CCNCC1
InChI:
InChI=1S/C11H20N2O2/c14-11(15)9-2-1-7-13(8-9)10-3-5-12-6-4-10/h9-10,12H,1-8H2,(H,14,15)
InChIKey:
XRXLGRLGKIXXRV-UHFFFAOYSA-N

Cite this record

CBID:309379 http://www.chembase.cn/molecule-309379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(piperidin-4-yl)piperidine-3-carboxylic acid
IUPAC Traditional name
1-(piperidin-4-yl)piperidine-3-carboxylic acid
Synonyms
1,4'-bipiperidine-3-carboxylic acid
CAS Number
889950-72-5
MDL Number
MFCD07364495

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) -5.2155766  LogD (pH = 7.4) -3.4650156 
Log P -2.6409361  Molar Refractivity 58.3724 cm3
Polarizability 23.102808 Å3 Polar Surface Area 52.57 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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