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4672-11-1 molecular structure
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4-(piperidin-1-yl)butan-1-ol

ChemBase ID: 292245
Molecular Formular: C9H19NO
Molecular Mass: 157.25326
Monoisotopic Mass: 157.14666423
SMILES and InChIs

SMILES:
OCCCCN1CCCCC1
Canonical SMILES:
OCCCCN1CCCCC1
InChI:
InChI=1S/C9H19NO/c11-9-5-4-8-10-6-2-1-3-7-10/h11H,1-9H2
InChIKey:
YRISKTNAYHHICR-UHFFFAOYSA-N

Cite this record

CBID:292245 http://www.chembase.cn/molecule-292245.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidin-1-yl)butan-1-ol
IUPAC Traditional name
4-(piperidin-1-yl)butan-1-ol
Synonyms
4-(Piperidin-1-yl)butan-1-ol
4-piperidin-1-ylbutan-1-ol
CAS Number
4672-11-1
MDL Number
MFCD03211282
MFCD03094792
PubChem SID
180677776
PubChem CID
418943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 418943 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.972566  H Acceptors
H Donor LogD (pH = 5.5) -2.4909892 
LogD (pH = 7.4) -1.3289975  Log P 0.927756 
Molar Refractivity 47.9324 cm3 Polarizability 18.725828 Å3
Polar Surface Area 23.47 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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