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1014695-50-1 molecular structure
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1-benzyl(2,2,6,6-2H4)piperidin-4-ol

ChemBase ID: 161905
Molecular Formular: C12H17NO
Molecular Mass: 191.26948
Monoisotopic Mass: 191.13101417
SMILES and InChIs

SMILES:
C1(CCN(CC1)Cc1ccccc1)O
Canonical SMILES:
OC1CCN(CC1)Cc1ccccc1
InChI:
InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey:
BPPZXJZYCOETDA-UHFFFAOYSA-N

Cite this record

CBID:161905 http://www.chembase.cn/molecule-161905.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl(2,2,6,6-2H4)piperidin-4-ol
IUPAC Traditional name
1-benzyl(2,2,6,6-2H4)piperidin-4-ol
Synonyms
1-(Phenylmethyl)-4-piperidinol-d4
4-Hydroxy-1-benzylpiperidine-d4
4-Hydroxy-N-benzylpiperidine-d4
N-Benzyl-4-hydroxypiperidine-d4
NSC 72991-d4
1-(Phenylmethyl)-4-piperidin-2,2,6,6-d4-ol
1-Benzyl-4-piperidinol-2,2,6,6-d4
CAS Number
1014695-50-1
PubChem SID
162256040
PubChem CID
16121751

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B288617 external link Add to cart
PubChem 16121751 external link
Data Source Data ID Price
TRC
B288617 external link Add to cart Please log in.
Data Source Data ID
PubChem 16121751 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.179255  H Acceptors
H Donor LogD (pH = 5.5) -1.8990737 
LogD (pH = 7.4) -0.25087833  Log P 1.2327021 
Molar Refractivity 58.325 cm3 Polarizability 22.809013 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B288617 external link
A labelled substituted piperidine as pesticide.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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