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752970-45-9 molecular structure
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[1-(propan-2-yl)piperidin-3-yl]methanol

ChemBase ID: 307025
Molecular Formular: C9H19NO
Molecular Mass: 157.25326
Monoisotopic Mass: 157.14666423
SMILES and InChIs

SMILES:
N1(CC(CO)CCC1)C(C)C
Canonical SMILES:
OCC1CCCN(C1)C(C)C
InChI:
InChI=1S/C9H19NO/c1-8(2)10-5-3-4-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3
InChIKey:
LZXLHLSTUPFULX-UHFFFAOYSA-N

Cite this record

CBID:307025 http://www.chembase.cn/molecule-307025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(propan-2-yl)piperidin-3-yl]methanol
IUPAC Traditional name
(1-isopropylpiperidin-3-yl)methanol
Synonyms
(1-isopropylpiperidin-3-yl)methanol
CAS Number
752970-45-9
MDL Number
MFCD08059813

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4010736 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.67007  LogD (pH = 7.4) -1.7104954 
Log P 0.7837695  Molar Refractivity 47.599 cm3
Polarizability 18.725828 Å3 Polar Surface Area 23.47 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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