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81310-56-7 molecular structure
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3-(piperidin-1-ylmethyl)piperidine

ChemBase ID: 90081
Molecular Formular: C11H22N2
Molecular Mass: 182.30578
Monoisotopic Mass: 182.17829871
SMILES and InChIs

SMILES:
N1(CC2CCCNC2)CCCCC1
Canonical SMILES:
C1CCC(CN1)CN1CCCCC1
InChI:
InChI=1S/C11H22N2/c1-2-7-13(8-3-1)10-11-5-4-6-12-9-11/h11-12H,1-10H2
InChIKey:
RJGUFVISCJPEBP-UHFFFAOYSA-N

Cite this record

CBID:90081 http://www.chembase.cn/molecule-90081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(piperidin-1-ylmethyl)piperidine
IUPAC Traditional name
3-(piperidin-1-ylmethyl)piperidine
Synonyms
1-(Piperidin-3-ylmethyl)piperidine
CAS Number
81310-56-7
MDL Number
MFCD05215125
PubChem SID
162076936
PubChem CID
12802904

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12802904 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.915784  LogD (pH = 7.4) -2.8630416 
Log P 1.1864513  Molar Refractivity 57.0057 cm3
Polarizability 22.610828 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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