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769944-79-8 molecular structure
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4-(4-bromophenyl)piperidine hydrochloride

ChemBase ID: 70942
Molecular Formular: C11H15BrClN
Molecular Mass: 276.6005
Monoisotopic Mass: 275.00763917
SMILES and InChIs

SMILES:
N1CCC(CC1)c1ccc(cc1)Br.Cl
Canonical SMILES:
Brc1ccc(cc1)C1CCNCC1.Cl
InChI:
InChI=1S/C11H14BrN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-4,10,13H,5-8H2;1H
InChIKey:
FCMJVILUJPTBAH-UHFFFAOYSA-N

Cite this record

CBID:70942 http://www.chembase.cn/molecule-70942.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-bromophenyl)piperidine hydrochloride
IUPAC Traditional name
4-(4-bromophenyl)piperidine hydrochloride
Synonyms
4-(4-Bromophenyl)piperidine hydrochloride
4-(4-BROMO-PHENYL)-PIPERIDINE HYDROCHLORIDE
CAS Number
769944-79-8
MDL Number
MFCD08461756
PubChem SID
162036650
PubChem CID
44630758

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.37478992  LogD (pH = 7.4) 0.28335318 
Log P 2.8470633  Molar Refractivity 59.1018 cm3
Polarizability 22.951576 Å3 Polar Surface Area 12.03 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
95+% expand Show data source
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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