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356072-46-3 molecular structure
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1,2-dihydrospiro[indole-3,4'-piperidine]-2-one hydrochloride

ChemBase ID: 287924
Molecular Formular: C12H15ClN2O
Molecular Mass: 238.7133
Monoisotopic Mass: 238.08729079
SMILES and InChIs

SMILES:
O=C1Nc2c(cccc2)C21CCNCC2.Cl
Canonical SMILES:
O=C1Nc2c(C31CCNCC3)cccc2.Cl
InChI:
InChI=1S/C12H14N2O.ClH/c15-11-12(5-7-13-8-6-12)9-3-1-2-4-10(9)14-11;/h1-4,13H,5-8H2,(H,14,15);1H
InChIKey:
MYFMLWOZVQXZNY-UHFFFAOYSA-N

Cite this record

CBID:287924 http://www.chembase.cn/molecule-287924.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dihydrospiro[indole-3,4'-piperidine]-2-one hydrochloride
IUPAC Traditional name
1H-spiro[indole-3,4'-piperidine]-2-one hydrochloride
Synonyms
Spiro[indoline-3,4'-piperidin]-2-one hydrochloride
CAS Number
356072-46-3
MDL Number
MFCD15071694
PubChem SID
180673455
PubChem CID
22380589

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD163260 Please log in.
Data Source Data ID
PubChem 22380589 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.236546  H Acceptors
H Donor LogD (pH = 5.5) -2.1743844 
LogD (pH = 7.4) -1.3109217  Log P 1.0311065 
Molar Refractivity 59.8906 cm3 Polarizability 22.637674 Å3
Polar Surface Area 41.13 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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