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301226-92-6 molecular structure
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4-[(benzyloxy)methyl]piperidine hydrochloride

ChemBase ID: 20744
Molecular Formular: C13H20ClNO
Molecular Mass: 241.757
Monoisotopic Mass: 241.12334195
SMILES and InChIs

SMILES:
N1CCC(COCc2ccccc2)CC1.Cl
Canonical SMILES:
N1CCC(CC1)COCc1ccccc1.Cl
InChI:
InChI=1S/C13H19NO.ClH/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13;/h1-5,13-14H,6-11H2;1H
InChIKey:
PGIQHCJXMIHEQO-UHFFFAOYSA-N

Cite this record

CBID:20744 http://www.chembase.cn/molecule-20744.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(benzyloxy)methyl]piperidine hydrochloride
IUPAC Traditional name
4-[(benzyloxy)methyl]piperidine hydrochloride
Synonyms
4-[(Benzyloxy)methyl]piperidine hydrochloride
CAS Number
301226-92-6
MDL Number
MFCD09879195
PubChem SID
160984051
PubChem CID
18374649

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 18374649 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.27804  LogD (pH = 7.4) -0.81728536 
Log P 1.9533815  Molar Refractivity 62.5995 cm3
Polarizability 24.728235 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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