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100158-63-2 molecular structure
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2-(pyrrolidin-1-ylmethyl)piperidine

ChemBase ID: 19247
Molecular Formular: C10H20N2
Molecular Mass: 168.2792
Monoisotopic Mass: 168.16264865
SMILES and InChIs

SMILES:
N1(CC2NCCCC2)CCCC1
Canonical SMILES:
C1CCC(NC1)CN1CCCC1
InChI:
InChI=1S/C10H20N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h10-11H,1-9H2
InChIKey:
GJJCBYJAVZCDCB-UHFFFAOYSA-N

Cite this record

CBID:19247 http://www.chembase.cn/molecule-19247.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyrrolidin-1-ylmethyl)piperidine
2-[(pyrrolidin-1-yl)methyl]piperidine
IUPAC Traditional name
2-(pyrrolidin-1-ylmethyl)piperidine
Synonyms
2-Pyrrolidin-1-ylmethyl-piperidine
2-(pyrrolidin-1-ylmethyl)piperidine
CAS Number
100158-63-2
MDL Number
MFCD03426449
PubChem SID
160982554
PubChem CID
2760541

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2760541 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.9581685  LogD (pH = 7.4) -1.7454784 
Log P 1.1416967  Molar Refractivity 52.0657 cm3
Polarizability 20.7646 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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