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3518-76-1 molecular structure
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1-(2-phenylethyl)piperidin-4-ol

ChemBase ID: 78262
Molecular Formular: C13H19NO
Molecular Mass: 205.29606
Monoisotopic Mass: 205.14666423
SMILES and InChIs

SMILES:
N1(CCc2ccccc2)CCC(O)CC1
Canonical SMILES:
OC1CCN(CC1)CCc1ccccc1
InChI:
InChI=1S/C13H19NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKey:
KYGMSTKBHJVPJK-UHFFFAOYSA-N

Cite this record

CBID:78262 http://www.chembase.cn/molecule-78262.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-phenylethyl)piperidin-4-ol
IUPAC Traditional name
1-(2-phenylethyl)piperidin-4-ol
Synonyms
1-(2-Phenylethyl)piperidin-4-ol
4-Hydroxy-1-(2-phenylethyl)piperidine
CAS Number
3518-76-1
PubChem SID
162043047
PubChem CID
77055

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR17918 external link Add to cart Please log in.
Data Source Data ID
PubChem 77055 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.179289  H Acceptors
H Donor LogD (pH = 5.5) -1.6973629 
LogD (pH = 7.4) -0.12125381  Log P 1.5213634 
Molar Refractivity 63.08 cm3 Polarizability 24.578257 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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