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885272-62-8 molecular structure
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4-(1H-indazol-5-yl)-1-methylpiperidin-4-ol

ChemBase ID: 813018
Molecular Formular: C13H17N3O
Molecular Mass: 231.29358
Monoisotopic Mass: 231.13716218
SMILES and InChIs

SMILES:
C1(CCN(CC1)C)(O)c1ccc2[nH]ncc2c1
Canonical SMILES:
CN1CCC(CC1)(O)c1ccc2c(c1)cn[nH]2
InChI:
InChI=1S/C13H17N3O/c1-16-6-4-13(17,5-7-16)11-2-3-12-10(8-11)9-14-15-12/h2-3,8-9,17H,4-7H2,1H3,(H,14,15)
InChIKey:
HOZYPTAPNAJOST-UHFFFAOYSA-N

Cite this record

CBID:813018 http://www.chembase.cn/molecule-813018.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1H-indazol-5-yl)-1-methylpiperidin-4-ol
IUPAC Traditional name
4-(1H-indazol-5-yl)-1-methylpiperidin-4-ol
Synonyms
4-(1H-INDAZOL-5-YL)-1-METHYL-PIPERIDIN-4-OL
CAS Number
885272-62-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33831 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33831 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.092965  H Acceptors
H Donor LogD (pH = 5.5) -2.415427 
LogD (pH = 7.4) -0.6684621  Log P 0.47953275 
Molar Refractivity 68.2297 cm3 Polarizability 27.116035 Å3
Polar Surface Area 52.15 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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