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3413-27-2 molecular structure
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4-phenoxypiperidine hydrochloride

ChemBase ID: 76145
Molecular Formular: C11H16ClNO
Molecular Mass: 213.70384
Monoisotopic Mass: 213.09204182
SMILES and InChIs

SMILES:
N1CCC(Oc2ccccc2)CC1.Cl
Canonical SMILES:
N1CCC(CC1)Oc1ccccc1.Cl
InChI:
InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H
InChIKey:
IRLPFTXZECHTDP-UHFFFAOYSA-N

Cite this record

CBID:76145 http://www.chembase.cn/molecule-76145.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenoxypiperidine hydrochloride
IUPAC Traditional name
4-phenoxypiperidine hydrochloride
Synonyms
4-Phenoxypiperidine hydrochloride
CAS Number
3413-27-2
MDL Number
MFCD02684106
PubChem SID
162041060
PubChem CID
17749786

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17749786 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.748066  LogD (pH = 7.4) -0.9037474 
Log P 1.4593327  Molar Refractivity 52.6776 cm3
Polarizability 21.02525 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
181 - 183°C expand Show data source
Hydrophobicity(logP)
1.673 expand Show data source
Storage Warning
Irritant expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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