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749860-71-7 molecular structure
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[1-(piperidin-4-yl)piperidin-3-yl]methanol

ChemBase ID: 310349
Molecular Formular: C11H22N2O
Molecular Mass: 198.30518
Monoisotopic Mass: 198.17321333
SMILES and InChIs

SMILES:
N1(CC(CO)CCC1)C1CCNCC1
Canonical SMILES:
OCC1CCCN(C1)C1CCNCC1
InChI:
InChI=1S/C11H22N2O/c14-9-10-2-1-7-13(8-10)11-3-5-12-6-4-11/h10-12,14H,1-9H2
InChIKey:
PEQIEMJCOKSLBT-UHFFFAOYSA-N

Cite this record

CBID:310349 http://www.chembase.cn/molecule-310349.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(piperidin-4-yl)piperidin-3-yl]methanol
IUPAC Traditional name
[1-(piperidin-4-yl)piperidin-3-yl]methanol
Synonyms
1,4'-bipiperidin-3-ylmethanol
CAS Number
749860-71-7
MDL Number
MFCD05864537

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) -6.1497974  LogD (pH = 7.4) -4.003704 
Log P -0.34585527  Molar Refractivity 58.588 cm3
Polarizability 23.206133 Å3 Polar Surface Area 35.5 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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