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466694-74-6 molecular structure
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1-(4-aminobenzoyl)piperidin-4-ol

ChemBase ID: 259521
Molecular Formular: C12H16N2O2
Molecular Mass: 220.26764
Monoisotopic Mass: 220.12117776
SMILES and InChIs

SMILES:
C(=O)(N1CCC(CC1)O)c1ccc(N)cc1
Canonical SMILES:
OC1CCN(CC1)C(=O)c1ccc(cc1)N
InChI:
InChI=1S/C12H16N2O2/c13-10-3-1-9(2-4-10)12(16)14-7-5-11(15)6-8-14/h1-4,11,15H,5-8,13H2
InChIKey:
HSFGGKHCUDVMPP-UHFFFAOYSA-N

Cite this record

CBID:259521 http://www.chembase.cn/molecule-259521.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-aminobenzoyl)piperidin-4-ol
IUPAC Traditional name
1-(4-aminobenzoyl)piperidin-4-ol
Synonyms
1-[(4-aminophenyl)carbonyl]piperidin-4-ol
CAS Number
466694-74-6
MDL Number
MFCD09741159
PubChem SID
164315431
PubChem CID
16794328

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-43441 external link Add to cart Please log in.
Data Source Data ID
PubChem 16794328 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.177556  H Acceptors
H Donor LogD (pH = 5.5) -0.24263789 
LogD (pH = 7.4) -0.23966615  Log P -0.23962812 
Molar Refractivity 63.3545 cm3 Polarizability 23.405567 Å3
Polar Surface Area 66.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.004 expand Show data source
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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