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1157984-70-7 molecular structure
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2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile

ChemBase ID: 288737
Molecular Formular: C15H18N2
Molecular Mass: 226.31682
Monoisotopic Mass: 226.14699859
SMILES and InChIs

SMILES:
N#CC1(N2CCCCC2)Cc2c(cccc2)C1
Canonical SMILES:
N#CC1(Cc2c(C1)cccc2)N1CCCCC1
InChI:
InChI=1S/C15H18N2/c16-12-15(17-8-4-1-5-9-17)10-13-6-2-3-7-14(13)11-15/h2-3,6-7H,1,4-5,8-11H2
InChIKey:
OTEIRZKSCWXGDQ-UHFFFAOYSA-N

Cite this record

CBID:288737 http://www.chembase.cn/molecule-288737.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile
IUPAC Traditional name
2-(piperidin-1-yl)-1,3-dihydroindene-2-carbonitrile
Synonyms
2-(Piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile
CAS Number
1157984-70-7
PubChem SID
180674268
PubChem CID
43809142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
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Data Source Data ID
PubChem 43809142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1466613  LogD (pH = 7.4) 2.8913772 
Log P 2.917405  Molar Refractivity 69.5812 cm3
Polarizability 26.832472 Å3 Polar Surface Area 27.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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