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857048-73-8 molecular structure
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4-(piperidin-4-yloxy)benzamide hydrochloride

ChemBase ID: 293275
Molecular Formular: C12H17ClN2O2
Molecular Mass: 256.72858
Monoisotopic Mass: 256.09785547
SMILES and InChIs

SMILES:
O=C(N)c1ccc(OC2CCNCC2)cc1.Cl
Canonical SMILES:
NC(=O)c1ccc(cc1)OC1CCNCC1.Cl
InChI:
InChI=1S/C12H16N2O2.ClH/c13-12(15)9-1-3-10(4-2-9)16-11-5-7-14-8-6-11;/h1-4,11,14H,5-8H2,(H2,13,15);1H
InChIKey:
QSORURHWDYOFPT-UHFFFAOYSA-N

Cite this record

CBID:293275 http://www.chembase.cn/molecule-293275.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidin-4-yloxy)benzamide hydrochloride
IUPAC Traditional name
4-(piperidin-4-yloxy)benzamide hydrochloride
Synonyms
4-(Piperidin-4-yloxy)benzamide hydrochloride
CAS Number
857048-73-8
PubChem SID
180678806
PubChem CID
18445305

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD254047 Please log in.
Data Source Data ID
PubChem 18445305 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.612214  H Acceptors
H Donor LogD (pH = 5.5) -2.8974257 
LogD (pH = 7.4) -2.0530987  Log P 0.30997303 
Molar Refractivity 61.756 cm3 Polarizability 23.841412 Å3
Polar Surface Area 64.35 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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