General Information of the Compound
Compound ID
CP0433322
Compound Name
4-(2-(aminomethyl)phenyl)-1-benzylpiperidin-4-ol
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Synonyms
4-(2-(aminomethyl)phenyl)-1-benzylpiperidin-4-ol
CHEMBL234581
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Structure
Formula
C19H24N2O
Molecular Weight
296.414
Canonical SMILES
NCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1
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InChI
InChI=1S/C19H24N2O/c20-14-17-8-4-5-9-18(17)19(22)10-12-21(13-11-19)15-16-6-2-1-3-7-16/h1-9,22H,10-15,20H2
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InChIKey
RPBRGKBDJGSAFB-UHFFFAOYSA-N
Physicochemical Property
logP
2.6289
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
49.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 44430036
ChEMBL ID
CHEMBL234581
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: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 455 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-(aminomethyl)phenyl)-1-benzylpiperidin-4-ol )
Drug Name 4-(2-(aminomethyl)phenyl)-1-benzylpiperidin-4-ol
Target(s)
Nociceptin receptor (OPRL1)
Inhibitor