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60601-62-9 molecular structure
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4-cyclohexylpiperidine hydrochloride

ChemBase ID: 76426
Molecular Formular: C11H22ClN
Molecular Mass: 203.75208
Monoisotopic Mass: 203.14407739
SMILES and InChIs

SMILES:
N1CCC(C2CCCCC2)CC1.Cl
Canonical SMILES:
C1CCC(CC1)C1CCNCC1.Cl
InChI:
InChI=1S/C11H21N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h10-12H,1-9H2;1H
InChIKey:
VERIFEZQOCIVJD-UHFFFAOYSA-N

Cite this record

CBID:76426 http://www.chembase.cn/molecule-76426.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclohexylpiperidine hydrochloride
IUPAC Traditional name
4-cyclohexylpiperidine hydrochloride
Synonyms
(Piperidin-4-yl)cyclohexane hydrochloride
4-Cyclohexylpiperidine hydrochloride
CAS Number
60601-62-9
MDL Number
MFCD05863876
PubChem SID
162041331
PubChem CID
17749781

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 17749781 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.68549395  LogD (pH = 7.4) -0.22864516 
Log P 2.5460746  Molar Refractivity 52.5344 cm3
Polarizability 21.091114 Å3 Polar Surface Area 12.03 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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