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1159822-74-8 molecular structure
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1-(morpholin-4-yl)-3-(piperazin-1-yl)propan-1-one dihydrochloride

ChemBase ID: 804965
Molecular Formular: C11H23Cl2N3O2
Molecular Mass: 300.22522
Monoisotopic Mass: 299.11673235
SMILES and InChIs

SMILES:
Cl.Cl.C(=O)(CCN1CCNCC1)N1CCOCC1
Canonical SMILES:
O=C(N1CCOCC1)CCN1CCNCC1.Cl.Cl
InChI:
InChI=1S/C11H21N3O2.2ClH/c15-11(14-7-9-16-10-8-14)1-4-13-5-2-12-3-6-13;;/h12H,1-10H2;2*1H
InChIKey:
XIPVYYICDZJHGO-UHFFFAOYSA-N

Cite this record

CBID:804965 http://www.chembase.cn/molecule-804965.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(morpholin-4-yl)-3-(piperazin-1-yl)propan-1-one dihydrochloride
IUPAC Traditional name
1-(morpholin-4-yl)-3-(piperazin-1-yl)propan-1-one dihydrochloride
Synonyms
1-MORPHOLIN-4-YL-3-PIPERAZIN-1-YL-PROPAN-1-ONE DIHYDROCHLORIDE
CAS Number
1159822-74-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22208 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22208 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.461838  LogD (pH = 7.4) -3.1123962 
Log P -1.2088538  Molar Refractivity 62.2176 cm3
Polarizability 24.498173 Å3 Polar Surface Area 44.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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