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551923-14-9 molecular structure
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3-methyl-1-(piperidin-4-yl)piperidine

ChemBase ID: 74341
Molecular Formular: C11H22N2
Molecular Mass: 182.30578
Monoisotopic Mass: 182.17829871
SMILES and InChIs

SMILES:
N1(C2CCNCC2)CCCC(C1)C
Canonical SMILES:
CC1CCCN(C1)C1CCNCC1
InChI:
InChI=1S/C11H22N2/c1-10-3-2-8-13(9-10)11-4-6-12-7-5-11/h10-12H,2-9H2,1H3
InChIKey:
HOMQMBUOTAUPAK-UHFFFAOYSA-N

Cite this record

CBID:74341 http://www.chembase.cn/molecule-74341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-1-(piperidin-4-yl)piperidine
IUPAC Traditional name
3-methyl-1-(piperidin-4-yl)piperidine
Synonyms
4-(3-Methylpiperidin-1-yl)piperidine
3-Methyl-1,4'-bipiperidine
CAS Number
551923-14-9
MDL Number
MFCD03274730
PubChem SID
162039260
PubChem CID
2760044

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2760044 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.932688  LogD (pH = 7.4) -2.94131 
Log P 1.0492666  Molar Refractivity 56.7581 cm3
Polarizability 22.610828 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
87°C/0.4mm expand Show data source
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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