Home > Compound List > Compound details
63843-83-4 molecular structure
click picture or here to close

1-benzyl-4-phenylpiperidin-4-ol

ChemBase ID: 113672
Molecular Formular: C18H21NO
Molecular Mass: 267.36544
Monoisotopic Mass: 267.1623143
SMILES and InChIs

SMILES:
C1(CCN(CC1)Cc1ccccc1)(c1ccccc1)O
Canonical SMILES:
OC1(CCN(CC1)Cc1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H21NO/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
InChIKey:
FCLMXEAPEVBCKQ-UHFFFAOYSA-N

Cite this record

CBID:113672 http://www.chembase.cn/molecule-113672.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-4-phenylpiperidin-4-ol
IUPAC Traditional name
1-benzyl-4-phenylpiperidin-4-ol
Synonyms
1-benzyl-4-phenylpiperidin-4-ol
CAS Number
63843-83-4
MDL Number
MFCD00598510
PubChem SID
162098578
PubChem CID
97333

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 97333 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.999138  H Acceptors
H Donor LogD (pH = 5.5) -0.22065511 
LogD (pH = 7.4) 1.4465361  Log P 2.880944 
Molar Refractivity 82.8272 cm3 Polarizability 32.43701 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
3.768 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle