4-(4-chlorophenyl)-1-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperidin-4-ol,hydrochloride 52502-60-0

Details:

Identification and Related Records
【Name】
4-(4-chlorophenyl)-1-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperidin-4-ol
【Iupac name】
4-(4-chlorophenyl)-1-[2-(2-methyl-1,
3-benzodioxol-2-yl)ethyl]piperidin-4-ol hydrochloride
【CAS Registry number】
52502-60-0
【Synonyms】
NSC 303863
4-(p-Chlorophenyl)-1-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-4-piperidinol hydrochloride
4-Piperidinol, 4-(p-chlorophenyl)-1-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-, hydrochloride
52502-60-0
AC1MI9CW
NSC303863
NSC-303863
LS-116921
4-(4-chlorophenyl)-1-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperidin-4-ol hydrochloride
【Molecular Formula】
C21H24ClNO3 (Products with the same molecular formula)
【Molecular Weight】
373.8732
【Inchi】
InChI=1/C21H24ClNO3/c1-20(25-18-4-2-3-5-19(18)26-20)10-13-23-14-11-21(24,12-15-23)16-6-8-17(22)9-7-16/h2-9,24H,10-15H2,1H3
【Canonical SMILES】
CC1(OC2=CC=CC=C2O1)CCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O.Cl
【MOL File】
52502-60-0.mol
Chemical and Physical Properties
【Density】
1.239g/cm3
【Boiling Point】
511°C at 760 mmHg
【Refractive Index】
1.59
【Flash Point】
262.8°C
【Computed Properties】
Molecular Weight:410.3341 [g/mol]
Molecular Formula:C21H25Cl2NO3
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:4
Exact Mass:409.121149
MonoIsotopic Mass:409.121149
Topological Polar Surface Area:41.9
Heavy Atom Count:27
Formal Charge:0
Complexity:458
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2