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26905-02-2 molecular structure
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4-(4-chlorophenyl)piperidine

ChemBase ID: 92250
Molecular Formular: C11H14ClN
Molecular Mass: 195.68856
Monoisotopic Mass: 195.08147713
SMILES and InChIs

SMILES:
N1CCC(c2ccc(cc2)Cl)CC1
Canonical SMILES:
Clc1ccc(cc1)C1CCNCC1
InChI:
InChI=1S/C11H14ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
InChIKey:
VKQHTSSNSJIMAL-UHFFFAOYSA-N

Cite this record

CBID:92250 http://www.chembase.cn/molecule-92250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-chlorophenyl)piperidine
IUPAC Traditional name
4-(4-chlorophenyl)piperidine
Synonyms
4-(4-Chlorophenyl)piperidine
CAS Number
26905-02-2
MDL Number
MFCD03077010
PubChem SID
162078948
PubChem CID
1203613

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1203613 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5393599  LogD (pH = 7.4) 0.12103672 
Log P 2.6823554  Molar Refractivity 56.2838 cm3
Polarizability 22.115877 Å3 Polar Surface Area 12.03 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

INTERNET

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