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423738-91-4 molecular structure
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1-benzyl-N-(pentan-3-yl)piperidin-4-amine

ChemBase ID: 311313
Molecular Formular: C17H28N2
Molecular Mass: 260.41762
Monoisotopic Mass: 260.22524891
SMILES and InChIs

SMILES:
N1(Cc2ccccc2)CCC(NC(CC)CC)CC1
Canonical SMILES:
CCC(NC1CCN(CC1)Cc1ccccc1)CC
InChI:
InChI=1S/C17H28N2/c1-3-16(4-2)18-17-10-12-19(13-11-17)14-15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3
InChIKey:
IILFGFGHMFLZQH-UHFFFAOYSA-N

Cite this record

CBID:311313 http://www.chembase.cn/molecule-311313.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-N-(pentan-3-yl)piperidin-4-amine
IUPAC Traditional name
1-benzyl-N-(pentan-3-yl)piperidin-4-amine
Synonyms
1-benzyl-N-(1-ethylpropyl)piperidin-4-amine
CAS Number
423738-91-4
MDL Number
MFCD02211968

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) -1.6916591  LogD (pH = 7.4) 0.010652115 
Log P 3.3768284  Molar Refractivity 82.9725 cm3
Polarizability 32.988346 Å3 Polar Surface Area 15.27 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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