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553631-46-2 molecular structure
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4-(propan-2-yl)piperidin-4-ol

ChemBase ID: 795891
Molecular Formular: C8H17NO
Molecular Mass: 143.22668
Monoisotopic Mass: 143.13101417
SMILES and InChIs

SMILES:
C1(CCNCC1)(O)C(C)C
Canonical SMILES:
CC(C1(O)CCNCC1)C
InChI:
InChI=1S/C8H17NO/c1-7(2)8(10)3-5-9-6-4-8/h7,9-10H,3-6H2,1-2H3
InChIKey:
AREAPMVZFHKETO-UHFFFAOYSA-N

Cite this record

CBID:795891 http://www.chembase.cn/molecule-795891.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(propan-2-yl)piperidin-4-ol
IUPAC Traditional name
4-isopropylpiperidin-4-ol
Synonyms
4-Isopropylpiperidin-4-ol
CAS Number
553631-46-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1003 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1003 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.488993  H Acceptors
H Donor LogD (pH = 5.5) -2.9044733 
LogD (pH = 7.4) -1.9715844  Log P 0.293253 
Molar Refractivity 42.0515 cm3 Polarizability 16.88203 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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