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89803-55-4 | Piperidine, 2-[[4-(2-cyclohexylethyl)phenyl]methyl]-, hydrochloride
CAS No: 89803-55-4 Catalog No: AG003YAQ MDL No:
Product Description
Catalog Number:
AG003YAQ
Chemical Name:
Piperidine, 2-[[4-(2-cyclohexylethyl)phenyl]methyl]-, hydrochloride
CAS Number:
89803-55-4
Molecular Formula:
C20H32ClN
Molecular Weight:
321.9278
IUPAC Name:
2-[[4-(2-cyclohexylethyl)phenyl]methyl]piperidine;hydrochloride
InChI:
InChI=1S/C20H31N.ClH/c1-2-6-17(7-3-1)9-10-18-11-13-19(14-12-18)16-20-8-4-5-15-21-20;/h11-14,17,20-21H,1-10,15-16H2;1H
InChI Key:
ODJQZAZRMZRBAA-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)CCc1ccc(cc1)CC1CCCCN1.Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.222g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.933g/mol
Monoisotopic Mass:
321.222g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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