IUPAC name
1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine
SMILES
ClC1=CC=C(C=C1)C(OCCN1CCCCC1)C1=CC=CC=C1
Compound class
Cough and Cold Preparations; Respiratory System;
Therapeutic area
Common name
Cloperastine
IUPAC name
1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine
SMILES
ClC1=CC=C(C=C1)C(OCCN1CCCCC1)C1=CC=CC=C1
INCHI
InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2
FORMULA
C20H24ClNO
Common name
Cloperastine
IUPAC name
1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine
Molecular weight
329.864
clogP
5.060
clogS
-5.464
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
12.47
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00670 | piperidine |
|
N1CCCCC1 | 0.0199 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| FDBF01051 | 2-(1-piperidyl)ethanol |
|
C(CN1CCCCC1)O | 0.0010 |
| FDBF01391 | ethoxymethylbenzene |
|
O(Cc1ccccc1)CC | 0.0031 |
| FDBF01727 | 1-chloro-4-(methoxymethyl)benzene |
|
O(C)Cc1ccc(cc1)Cl | 0.0014 |
| FDBF03639 | 1-(2-methoxyethyl)piperidine |
|
C(OC)CN1CCCCC1 | 0.0007 |
17 ,
2
