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1094071-26-7 molecular structure
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(2-methylpiperidin-2-yl)methanol

ChemBase ID: 309422
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
N1C(CO)(C)CCCC1
Canonical SMILES:
OCC1(C)CCCCN1
InChI:
InChI=1S/C7H15NO/c1-7(6-9)4-2-3-5-8-7/h8-9H,2-6H2,1H3
InChIKey:
RPUZRRCAXCJUNW-UHFFFAOYSA-N

Cite this record

CBID:309422 http://www.chembase.cn/molecule-309422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methylpiperidin-2-yl)methanol
IUPAC Traditional name
(2-methylpiperidin-2-yl)methanol
Synonyms
(2-methyl-2-piperidinyl)methanol
CAS Number
1094071-26-7
MDL Number
MFCD14582623

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9075143  LogD (pH = 7.4) -2.1534424 
Log P 0.3077294  Molar Refractivity 37.4361 cm3
Polarizability 15.038956 Å3 Polar Surface Area 32.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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