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889849-93-8 molecular structure
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1-(pyrrolidine-1-carbonyl)piperidin-4-amine hydrochloride

ChemBase ID: 55302
Molecular Formular: C10H20ClN3O
Molecular Mass: 233.7383
Monoisotopic Mass: 233.12948996
SMILES and InChIs

SMILES:
C1CN(CC1)C(=O)N1CCC(CC1)N.Cl
Canonical SMILES:
NC1CCN(CC1)C(=O)N1CCCC1.Cl
InChI:
InChI=1S/C10H19N3O.ClH/c11-9-3-7-13(8-4-9)10(14)12-5-1-2-6-12;/h9H,1-8,11H2;1H
InChIKey:
MKHNRELCUURGBM-UHFFFAOYSA-N

Cite this record

CBID:55302 http://www.chembase.cn/molecule-55302.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyrrolidine-1-carbonyl)piperidin-4-amine hydrochloride
IUPAC Traditional name
1-(pyrrolidine-1-carbonyl)piperidin-4-amine hydrochloride
Synonyms
1-(Pyrrolidin-1-ylcarbonyl)piperidin-4-amine hydrochloride
CAS Number
889849-93-8
MDL Number
MFCD13248785
PubChem SID
162060065
PubChem CID
50944340

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 50944340 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -3.8699796 
LogD (pH = 7.4) -3.3010113  Log P -0.8521543 
Molar Refractivity 55.6522 cm3 Polarizability 21.566858 Å3
Polar Surface Area 49.57 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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