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889942-46-5 molecular structure
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3-(2-methylpiperidin-1-yl)-2-phenylpropan-1-ol

ChemBase ID: 801055
Molecular Formular: C15H23NO
Molecular Mass: 233.34922
Monoisotopic Mass: 233.17796436
SMILES and InChIs

SMILES:
C(C(CN1CCCCC1C)c1ccccc1)O
Canonical SMILES:
OCC(c1ccccc1)CN1CCCCC1C
InChI:
InChI=1S/C15H23NO/c1-13-7-5-6-10-16(13)11-15(12-17)14-8-3-2-4-9-14/h2-4,8-9,13,15,17H,5-7,10-12H2,1H3
InChIKey:
UIKUEKDWMHIBRL-UHFFFAOYSA-N

Cite this record

CBID:801055 http://www.chembase.cn/molecule-801055.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-methylpiperidin-1-yl)-2-phenylpropan-1-ol
IUPAC Traditional name
3-(2-methylpiperidin-1-yl)-2-phenylpropan-1-ol
Synonyms
3-(2-Methyl-piperidin-1-yl)-2-phenyl-propan-1-ol
CAS Number
889942-46-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17311 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17311 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.341091  H Acceptors
H Donor LogD (pH = 5.5) -0.97953016 
LogD (pH = 7.4) 0.17855184  Log P 2.440096 
Molar Refractivity 72.218 cm3 Polarizability 28.26766 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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