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1-[(2-aminopyridin-3-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
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ChemBase ID:
322404
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Molecular Formular:
C14H24N4O
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Molecular Mass:
264.36656
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Monoisotopic Mass:
264.19501141
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SMILES and InChIs
SMILES:
c1(c(nccc1)N)CN1CC(CN(C)C)(O)CCC1
Canonical SMILES:
CN(CC1(O)CCCN(C1)Cc1cccnc1N)C
InChI:
InChI=1S/C14H24N4O/c1-17(2)10-14(19)6-4-8-18(11-14)9-12-5-3-7-16-13(12)15/h3,5,7,19H,4,6,8-11H2,1-2H3,(H2,15,16)
InChIKey:
MGBSCHDMTKEGQT-UHFFFAOYSA-N
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Cite this record
CBID:322404 http://www.chembase.cn/molecule-322404.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(2-aminopyridin-3-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
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IUPAC Traditional name
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1-[(2-aminopyridin-3-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
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Synonyms
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1-[(2-amino-3-pyridinyl)methyl]-3-[(dimethylamino)methyl]-3-piperidinol
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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14.041753
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-4.398473
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LogD (pH = 7.4)
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-1.9245493
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Log P
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0.1803775
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Molar Refractivity
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78.8699 cm3
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Polarizability
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30.083778 Å3
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Polar Surface Area
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65.62 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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2
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Log P
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-0.15
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LOG S
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0.01
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Polar Surface Area
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65.62 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent