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5342-95-0 molecular structure
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1-(piperidin-1-ylmethyl)naphthalen-2-ol

ChemBase ID: 87097
Molecular Formular: C16H19NO
Molecular Mass: 241.32816
Monoisotopic Mass: 241.14666423
SMILES and InChIs

SMILES:
N1(Cc2c(ccc3ccccc23)O)CCCCC1
Canonical SMILES:
Oc1ccc2c(c1CN1CCCCC1)cccc2
InChI:
InChI=1S/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2
InChIKey:
WFZSFSMELSBBJO-UHFFFAOYSA-N

Cite this record

CBID:87097 http://www.chembase.cn/molecule-87097.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(piperidin-1-ylmethyl)naphthalen-2-ol
1-[(piperidin-1-yl)methyl]naphthalen-2-ol
IUPAC Traditional name
1-(piperidin-1-ylmethyl)naphthalen-2-ol
Synonyms
1-(piperidinomethyl)-2-naphthol
1-(Piperidin-1-ylmethyl)naphthalen-2-ol
1-(piperidin-1-ylmethyl)-2-naphthol
CAS Number
5342-95-0
MDL Number
MFCD00021615
PubChem SID
162074213
PubChem CID
21436

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.7675138  H Acceptors
H Donor LogD (pH = 5.5) 0.19023094 
LogD (pH = 7.4) 1.5767647  Log P 2.0627785 
Molar Refractivity 75.1738 cm3 Polarizability 30.380426 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
96 - 98°C expand Show data source
Hydrophobicity(logP)
3.626 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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