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[(1-methyl-1H-imidazol-2-yl)methyl][(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine

ChemBase ID: 340034
Molecular Formular: C20H30N4
Molecular Mass: 326.479
Monoisotopic Mass: 326.24704698
SMILES and InChIs

SMILES:
c1(n(ccn1)C)CN(CC1CCN(CC1)C)CCc1ccccc1
Canonical SMILES:
CN1CCC(CC1)CN(Cc1nccn1C)CCc1ccccc1
InChI:
InChI=1S/C20H30N4/c1-22-12-8-19(9-13-22)16-24(17-20-21-11-15-23(20)2)14-10-18-6-4-3-5-7-18/h3-7,11,15,19H,8-10,12-14,16-17H2,1-2H3
InChIKey:
AYYKIERAIITJLZ-UHFFFAOYSA-N

Cite this record

CBID:340034 http://www.chembase.cn/molecule-340034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1-methyl-1H-imidazol-2-yl)methyl][(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine
IUPAC Traditional name
[(1-methylimidazol-2-yl)methyl][(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine
Synonyms
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(1-methyl-4-piperidinyl)methyl]-2-phenylethanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -3.1336155  LogD (pH = 7.4) -0.012270698 
Log P 2.5935562  Molar Refractivity 101.4159 cm3
Polarizability 39.1959 Å3 Polar Surface Area 24.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.6  LOG S -1.79 
Polar Surface Area 24.3 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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