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584555-74-8 molecular structure
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4-[(3-fluoro-4-methoxyphenyl)methyl]piperidine

ChemBase ID: 812479
Molecular Formular: C13H18FNO
Molecular Mass: 223.2865232
Monoisotopic Mass: 223.13724242
SMILES and InChIs

SMILES:
C1(CCNCC1)Cc1cc(c(cc1)OC)F
Canonical SMILES:
COc1ccc(cc1F)CC1CCNCC1
InChI:
InChI=1S/C13H18FNO/c1-16-13-3-2-11(9-12(13)14)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3
InChIKey:
QHZWAOAIMYXAAP-UHFFFAOYSA-N

Cite this record

CBID:812479 http://www.chembase.cn/molecule-812479.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(3-fluoro-4-methoxyphenyl)methyl]piperidine
IUPAC Traditional name
4-[(3-fluoro-4-methoxyphenyl)methyl]piperidine
Synonyms
4-(3-FLUORO-4-METHOXY-BENZYL)-PIPERIDINE
CAS Number
584555-74-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32672 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32672 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7236562  LogD (pH = 7.4) -0.2667463 
Log P 2.50791  Molar Refractivity 62.7596 cm3
Polarizability 24.265432 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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