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6457-48-3 molecular structure
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1-(piperidin-4-yl)ethan-1-ol

ChemBase ID: 268181
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
N1CCC(C(O)C)CC1
Canonical SMILES:
CC(C1CCNCC1)O
InChI:
InChI=1S/C7H15NO/c1-6(9)7-2-4-8-5-3-7/h6-9H,2-5H2,1H3
InChIKey:
NDJKRLGXVKYIGQ-UHFFFAOYSA-N

Cite this record

CBID:268181 http://www.chembase.cn/molecule-268181.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(piperidin-4-yl)ethan-1-ol
IUPAC Traditional name
1-(piperidin-4-yl)ethanol
Synonyms
1-(piperidin-4-yl)ethan-1-ol
1-(4-piperidinyl)ethanol
CAS Number
6457-48-3
MDL Number
MFCD00120611
PubChem SID
164324091
PubChem CID
338321

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 338321 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.26543  H Acceptors
H Donor LogD (pH = 5.5) -3.2187252 
LogD (pH = 7.4) -2.5481427  Log P 0.0023568943 
Molar Refractivity 37.6545 cm3 Polarizability 15.038956 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
68 - 70°C expand Show data source
Hydrophobicity(logP)
-0.224 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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