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

ChemBase ID: 48991
Molecular Formular: C11H21ClN2O
Molecular Mass: 232.75024
Monoisotopic Mass: 232.13424098
SMILES and InChIs

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

Cite this record

CBID:48991 http://www.chembase.cn/molecule-48991.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(piperidine-4-carbonyl)piperidine hydrochloride
IUPAC Traditional name
1-(piperidine-4-carbonyl)piperidine hydrochloride
Synonyms
1-Piperidinyl(4-piperidinyl)methanone hydrochloride
1-(piperidin-4-ylcarbonyl)piperidine hydrochloride
CAS Number
63214-58-4
278598-12-2
MDL Number
MFCD01580851
PubChem SID
162053754
PubChem CID
17385515

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17385515 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.854966  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)
Melting Point
207 - 209°C expand Show data source
Hydrophobicity(logP)
-0.407 expand Show data source
Storage Warning
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
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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