IUPAC name
2-(2,2-dicyclohexylethyl)piperidine
SMILES
C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Compound class
Vasodilator Agents; Calcium Channel Blockers; Cardiovascular Agents; Cardiovascular System; Non-Selective Calcium Channel Blockers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the management of severe angina pectoris.
Common name
Perhexiline
IUPAC name
2-(2,2-dicyclohexylethyl)piperidine
SMILES
C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
INCHI
InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
FORMULA
C19H35N
Common name
Perhexiline
IUPAC name
2-(2,2-dicyclohexylethyl)piperidine
Molecular weight
277.488
clogP
4.914
clogS
-4.413
HBond Acceptor
0
HBond Donor
1
Total Polar Surface Area
12.03
Number of Rings
3
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00319 | methylcyclohexane |
|
CC1CCCCC1 | 0.0038 |
| FDBF00324 | ethylcyclohexane |
|
C(C1CCCCC1)C | 0.0010 |
| FDBF00355 | cyclohexane |
|
C1CCCCC1 | 0.0127 |
| FDBF00670 | piperidine |
|
N1CCCCC1 | 0.0199 |
| FDBF02396 | (2S)-2-methylpiperidine |
|
CC1NCCCC1 | 0.0014 |
| FDBF02397 | (2S)-2-ethylpiperidine |
|
C(C1NCCCC1)C | 0.0003 |
6 ,
1
