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144465-94-1 molecular structure
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1-(pyridin-2-yl)piperidin-4-amine

ChemBase ID: 257985
Molecular Formular: C10H15N3
Molecular Mass: 177.2462
Monoisotopic Mass: 177.1265975
SMILES and InChIs

SMILES:
N1(c2ncccc2)CCC(CC1)N
Canonical SMILES:
NC1CCN(CC1)c1ccccn1
InChI:
InChI=1S/C10H15N3/c11-9-4-7-13(8-5-9)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8,11H2
InChIKey:
CZINLSYKXBADTA-UHFFFAOYSA-N

Cite this record

CBID:257985 http://www.chembase.cn/molecule-257985.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyridin-2-yl)piperidin-4-amine
IUPAC Traditional name
1-(pyridin-2-yl)piperidin-4-amine
Synonyms
(1-Pyridin-2-yl)piperidin-4-amine
1-pyridin-2-ylpiperidin-4-amine
CAS Number
144465-94-1
MDL Number
MFCD08061082
PubChem SID
164313895
PubChem CID
10197934

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10197934 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2343316  LogD (pH = 7.4) -1.8603023 
Log P 0.6692526  Molar Refractivity 54.025 cm3
Polarizability 20.579117 Å3 Polar Surface Area 42.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.565 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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