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125043-83-6 molecular structure
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4-(3-nitrophenoxy)piperidine hydrochloride

ChemBase ID: 290475
Molecular Formular: C11H15ClN2O3
Molecular Mass: 258.7014
Monoisotopic Mass: 258.07712003
SMILES and InChIs

SMILES:
O=[N+](c1cc(OC2CCNCC2)ccc1)[O-].Cl
Canonical SMILES:
[O-][N+](=O)c1cccc(c1)OC1CCNCC1.Cl
InChI:
InChI=1S/C11H14N2O3.ClH/c14-13(15)9-2-1-3-11(8-9)16-10-4-6-12-7-5-10;/h1-3,8,10,12H,4-7H2;1H
InChIKey:
QZNVAZLSQUKSQN-UHFFFAOYSA-N

Cite this record

CBID:290475 http://www.chembase.cn/molecule-290475.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-nitrophenoxy)piperidine hydrochloride
IUPAC Traditional name
4-(3-nitrophenoxy)piperidine hydrochloride
Synonyms
4-(3-Nitrophenoxy)piperidine hydrochloride
CAS Number
125043-83-6
PubChem SID
180676006
PubChem CID
22403341

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229607 Please log in.
Data Source Data ID
PubChem 22403341 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8080817  LogD (pH = 7.4) -0.9637632 
Log P 1.3993169  Molar Refractivity 58.9981 cm3
Polarizability 22.886948 Å3 Polar Surface Area 64.4 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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