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91271-62-4 molecular structure
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[4-(piperidin-1-ylmethyl)phenyl]methanol

ChemBase ID: 91197
Molecular Formular: C13H19NO
Molecular Mass: 205.29606
Monoisotopic Mass: 205.14666423
SMILES and InChIs

SMILES:
N1(CCCCC1)Cc1ccc(cc1)CO
Canonical SMILES:
OCc1ccc(cc1)CN1CCCCC1
InChI:
InChI=1S/C13H19NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,15H,1-3,8-11H2
InChIKey:
SQWKPHFBCVNPGU-UHFFFAOYSA-N

Cite this record

CBID:91197 http://www.chembase.cn/molecule-91197.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(piperidin-1-ylmethyl)phenyl]methanol
IUPAC Traditional name
[4-(piperidin-1-ylmethyl)phenyl]methanol
Synonyms
[4-(Piperidin-1-ylmethyl)phenyl]methanol
4-[(Piperidin-1-yl)methyl]benzyl alcohol 95%
[4-(piperidin-1-ylmethyl)phenyl]methanol
CAS Number
91271-62-4
MDL Number
MFCD07772863
PubChem SID
162077901
PubChem CID
7162041

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7162041 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.004934  H Acceptors
H Donor LogD (pH = 5.5) -1.2957574 
LogD (pH = 7.4) 0.1870221  Log P 1.997659 
Molar Refractivity 63.5586 cm3 Polarizability 24.648054 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive 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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