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88227-11-6 molecular structure
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1-benzyl(3,3,5,5-2H4)piperidin-4-ol

ChemBase ID: 161924
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:161924 http://www.chembase.cn/molecule-161924.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl(3,3,5,5-2H4)piperidin-4-ol
IUPAC Traditional name
1-benzyl(3,3,5,5-2H4)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-3,3,5,5-d4-ol
1-Benzyl-4-piperidinol-3,3,5,5-d4
CAS Number
88227-11-6
PubChem SID
162256059
PubChem CID
46783596

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B288618 external link Add to cart
PubChem 46783596 external link
Data Source Data ID Price
TRC
B288618 external link Add to cart Please log in.
Data Source Data ID
PubChem 46783596 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 22.809 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 - B288618 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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