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857237-50-4 molecular structure
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3-(4-methylpiperidin-1-yl)propan-1-ol

ChemBase ID: 307407
Molecular Formular: C9H19NO
Molecular Mass: 157.25326
Monoisotopic Mass: 157.14666423
SMILES and InChIs

SMILES:
N1(CCC(CC1)C)CCCO
Canonical SMILES:
OCCCN1CCC(CC1)C
InChI:
InChI=1S/C9H19NO/c1-9-3-6-10(7-4-9)5-2-8-11/h9,11H,2-8H2,1H3
InChIKey:
RFSWWKLQLYHXAB-UHFFFAOYSA-N

Cite this record

CBID:307407 http://www.chembase.cn/molecule-307407.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methylpiperidin-1-yl)propan-1-ol
IUPAC Traditional name
3-(4-methylpiperidin-1-yl)propan-1-ol
Synonyms
3-(4-methylpiperidin-1-yl)propan-1-ol
CAS Number
857237-50-4
MDL Number
MFCD08059961

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -1.5986718  Log P 0.69741243 
Molar Refractivity 47.8364 cm3 Polarizability 18.725828 Å3
Polar Surface Area 23.47 Å2 H Acceptors
H Donor LogD (pH = 5.5) -2.7283309 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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