chempirical

Perhexiline maleate

C23H39NO4CAS 6724-53-4393.57 g/mol

Open in Covalent MOL file
HNOHOOOH
AlkeneCarboxylic acidSecondary amine

Properties

Molecular formula
C23H39NO4
Molar mass
393.57 g/mol
Exact mass
393.2879 Da
Melting point
188.5–191 °C
logP
5.01Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6724-53-4
SMILES
C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=CC(=O)O
InChIKey
JDZOTSLZMQDFLG-BTJKTKAUSA-N
InChI
InChI=1S/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Piperidine, 2-(2,2-dicyclohexylethyl)-, (2Z)-2-butenedioate (1:1)
  • Piperidine, 2-(2,2-dicyclohexylethyl)-, maleate (1:1)
  • Piperidine, 2-(2,2-dicyclohexylethyl)-, (Z)-2-butenedioate (1:1)
  • Piperidine, 2-(2,2-dicyclohexylethyl)-, maleate
  • 2-(2,2-Dicyclohexylethyl)piperidine maleate
  • Pexid
  • Perhexilene maleate

Work with Perhexiline maleate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid Iron(II) fumarate141-01-5Salt, defined stereoisomer Enalapril maleate76095-16-4Salt, defined stereoisomer Timolol maleate26921-17-5Salt, defined stereoisomer Chlorpheniramine maleate113-92-8Salt Pyrilamine maleate59-33-6Salt Sodium fumarate5873-57-4Salt, defined stereoisomer Clemastine fumarate14976-57-9Salt, defined stereoisomer Dexchlorpheniramine maleate2438-32-6Salt, defined stereoisomer Calcium fumarate19855-56-2Salt, defined stereoisomer

Similar compounds

Piperidin-2-ylmethanol3433-37-236 % similar (+)-Pipecolic acid1723-00-836 % similar Pipecolic acid3105-95-136 % similar Pipecolic acid4043-87-236 % similar Pipecolic acid535-75-136 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-235 % similar 2-Piperidineethanol1484-84-035 % similar (4S)-4-Cyclohexyl-L-proline103201-78-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook