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4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyridine

ChemBase ID: 865611
Molecular Formular: C14H21N3
Molecular Mass: 231.33664
Monoisotopic Mass: 231.17354769
SMILES and InChIs

SMILES:
N1(CC(N2C(C)CCCC2)C1)c1ccncc1
Canonical SMILES:
CC1CCCCN1C1CN(C1)c1ccncc1
InChI:
InChI=1S/C14H21N3/c1-12-4-2-3-9-17(12)14-10-16(11-14)13-5-7-15-8-6-13/h5-8,12,14H,2-4,9-11H2,1H3
InChIKey:
IKNHOOVJGLTAGF-UHFFFAOYSA-N

Cite this record

CBID:865611 http://www.chembase.cn/molecule-865611.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyridine
IUPAC Traditional name
4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyridine
Synonyms
4-[3-(2-methyl-1-piperidinyl)-1-azetidinyl]pyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66707306 external link Add to cart
Data Source Data ID Price
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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) -1.7450943  LogD (pH = 7.4) 0.16427654 
Log P 2.037445  Molar Refractivity 70.6108 cm3
Polarizability 27.218937 Å3 Polar Surface Area 19.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.24  LOG S -1.79 
Polar Surface Area 19.37 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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