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{1-[(1-benzyl-1H-imidazol-5-yl)methyl]-3-propylpiperidin-3-yl}methanol

ChemBase ID: 420096
Molecular Formular: C20H29N3O
Molecular Mass: 327.46376
Monoisotopic Mass: 327.23106256
SMILES and InChIs

SMILES:
n1(c(CN2CC(CO)(CCC2)CCC)cnc1)Cc1ccccc1
Canonical SMILES:
CCCC1(CO)CCCN(C1)Cc1cncn1Cc1ccccc1
InChI:
InChI=1S/C20H29N3O/c1-2-9-20(16-24)10-6-11-22(15-20)14-19-12-21-17-23(19)13-18-7-4-3-5-8-18/h3-5,7-8,12,17,24H,2,6,9-11,13-16H2,1H3
InChIKey:
OTXUQMMSOPYKHL-UHFFFAOYSA-N

Cite this record

CBID:420096 http://www.chembase.cn/molecule-420096.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{1-[(1-benzyl-1H-imidazol-5-yl)methyl]-3-propylpiperidin-3-yl}methanol
IUPAC Traditional name
{1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl}methanol
Synonyms
{1-[(1-benzyl-1H-imidazol-5-yl)methyl]-3-propylpiperidin-3-yl}methanol

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)
Acid pKa 15.071272  H Acceptors
H Donor LogD (pH = 5.5) 0.43731764 
LogD (pH = 7.4) 2.0605285  Log P 2.8660288 
Molar Refractivity 98.9307 cm3 Polarizability 38.342 Å3
Polar Surface Area 41.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.44  LOG S -2.66 
Polar Surface Area 41.29 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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