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915919-74-3 molecular structure
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2-(1-benzylpiperidin-2-yl)ethan-1-amine

ChemBase ID: 307139
Molecular Formular: C14H22N2
Molecular Mass: 218.33788
Monoisotopic Mass: 218.17829871
SMILES and InChIs

SMILES:
N1(Cc2ccccc2)C(CCN)CCCC1
Canonical SMILES:
NCCC1CCCCN1Cc1ccccc1
InChI:
InChI=1S/C14H22N2/c15-10-9-14-8-4-5-11-16(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2
InChIKey:
KDPMGDIOCGIION-UHFFFAOYSA-N

Cite this record

CBID:307139 http://www.chembase.cn/molecule-307139.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-benzylpiperidin-2-yl)ethan-1-amine
IUPAC Traditional name
2-(1-benzylpiperidin-2-yl)ethanamine
Synonyms
2-(1-benzylpiperidin-2-yl)ethanamine
CAS Number
915919-74-3
MDL Number
MFCD08059850

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.0375295  LogD (pH = 7.4) -1.9889855 
Log P 2.0877516  Molar Refractivity 69.2281 cm3
Polarizability 27.447319 Å3 Polar Surface Area 29.26 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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