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259663-88-2 molecular structure
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1-(4-methoxyphenyl)piperidin-4-amine

ChemBase ID: 268197
Molecular Formular: C12H18N2O
Molecular Mass: 206.28412
Monoisotopic Mass: 206.14191321
SMILES and InChIs

SMILES:
N1(c2ccc(cc2)OC)CCC(CC1)N
Canonical SMILES:
COc1ccc(cc1)N1CCC(CC1)N
InChI:
InChI=1S/C12H18N2O/c1-15-12-4-2-11(3-5-12)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3
InChIKey:
LLQPZJOXQGVEEQ-UHFFFAOYSA-N

Cite this record

CBID:268197 http://www.chembase.cn/molecule-268197.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methoxyphenyl)piperidin-4-amine
IUPAC Traditional name
1-(4-methoxyphenyl)piperidin-4-amine
Synonyms
1-(4-methoxyphenyl)piperidin-4-amine
CAS Number
259663-88-2
MDL Number
MFCD08752981
PubChem SID
164324107
PubChem CID
24690205

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24690205 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.02016  LogD (pH = 7.4) -1.3524903 
Log P 1.1347963  Molar Refractivity 62.3316 cm3
Polarizability 23.995613 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
50 - 52°C expand Show data source
Hydrophobicity(logP)
1.016 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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