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37581-26-3 molecular structure
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4-[(4-methoxyphenyl)methyl]piperidine

ChemBase ID: 267053
Molecular Formular: C13H19NO
Molecular Mass: 205.29606
Monoisotopic Mass: 205.14666423
SMILES and InChIs

SMILES:
N1CCC(Cc2ccc(cc2)OC)CC1
Canonical SMILES:
COc1ccc(cc1)CC1CCNCC1
InChI:
InChI=1S/C13H19NO/c1-15-13-4-2-11(3-5-13)10-12-6-8-14-9-7-12/h2-5,12,14H,6-10H2,1H3
InChIKey:
LPFCHIMEOSLIGN-UHFFFAOYSA-N

Cite this record

CBID:267053 http://www.chembase.cn/molecule-267053.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(4-methoxyphenyl)methyl]piperidine
IUPAC Traditional name
4-[(4-methoxyphenyl)methyl]piperidine
Synonyms
4-[(4-methoxyphenyl)methyl]piperidine
4-(4-METHOXY-BENZYL)-PIPERIDINE
CAS Number
37581-26-3
MDL Number
MFCD05863571
PubChem SID
164322963
PubChem CID
3732740

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3732740 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.86635816  LogD (pH = 7.4) -0.40944827 
Log P 2.3652081  Molar Refractivity 62.5432 cm3
Polarizability 24.635925 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
55 - 57°C expand Show data source
Hydrophobicity(logP)
2.791 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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