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63214-58-4 molecular structure
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1-(piperidine-4-carbonyl)piperidine

ChemBase ID: 15736
Molecular Formular: C11H20N2O
Molecular Mass: 196.2893
Monoisotopic Mass: 196.15756327
SMILES and InChIs

SMILES:
C(=O)(N1CCCCC1)C1CCNCC1
Canonical SMILES:
O=C(N1CCCCC1)C1CCNCC1
InChI:
InChI=1S/C11H20N2O/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13/h10,12H,1-9H2
InChIKey:
JFHHGGAQABVJIF-UHFFFAOYSA-N

Cite this record

CBID:15736 http://www.chembase.cn/molecule-15736.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(piperidine-4-carbonyl)piperidine
4-(piperidine-1-carbonyl)piperidine
IUPAC Traditional name
1-(piperidine-4-carbonyl)piperidine
4-(piperidine-1-carbonyl)piperidine
Synonyms
1-(Piperidin-4-ylcarbonyl)piperidine
(Piperidin-1-yl)(Piperidin-4-yl)methanone
1-(Piperidin-4-ylcarbonyl)piperidine 97%
1-[(piperidin-4-yl)carbonyl]piperidine
1-(piperidin-4-ylcarbonyl)piperidine hydrochloride
piperidino(4-piperidinyl)methanone
CAS Number
63214-58-4
MDL Number
MFCD01580851
MFCD03372500
PubChem SID
160979043
PubChem CID
2794688

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8549638  LogD (pH = 7.4) -2.2705276 
Log P 0.37100783  Molar Refractivity 56.8329 cm3
Polarizability 22.265976 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
0.674 expand Show data source
Hydrophobicity(logP)
-0.407 expand Show data source
Storage Warning
Corrosive/Harmful expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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