General Information of the Compound
Compound ID
CP0348354
Compound Name
diphenyl(piperidin-4-yl)methanol
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Synonyms
115-46-8
2MMR990PEM
4-Piperidinemethanol, alpha,alpha-diphenyl-
Ataractan
Azaciclonolo [DCIT]
Azacyclonol
Azacyclonol [INN:BAN]
Azacyclonolum [INN-Latin]
Azacyklonol
BRN 0230221
Calmeran
Diphenyl(4-piperidinyl)methanol
Diphenyl(piperidin-4-yl)methanol
Diphenyl-4-piperidylmethanol
Diphenyl-piperidin-4-yl-methanol
EINECS 204-092-5
Frenoton
Frenquel
MER 17
Psychosan
UNII-2MMR990PEM
alpha,alpha-Diphenyl-4-piperidinemethanol
alpha,alpha-diphenyl-4-piperidinomethanol
alpha-(4-Piperidyl)benzhydrol
diphenyl(piperidin-4-yl)methanol
gamma-Pipradol
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Structure
Formula
C18H21NO
Molecular Weight
267.372
Canonical SMILES
OC(C1CCNCC1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2
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InChIKey
ZMISODWVFHHWNR-UHFFFAOYSA-N
Physicochemical Property
logP
2.9221
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 15723
SID: 15165531
ChEMBL ID
CHEMBL127508
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1258.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 659 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Diphenyl(piperidin-4-yl)methanol )
Drug Name Diphenyl(piperidin-4-yl)methanol
Target(s)
Histamine H1 receptor (H1R)
Inhibitor