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1256444-36-6 | 4-Piperidinecarboxylic acid, 1-methyl-4-(2-naphthalenyl)-
CAS No: 1256444-36-6 Catalog No: AG000O83 MDL No:
Product Description
Catalog Number:
AG000O83
Chemical Name:
4-Piperidinecarboxylic acid, 1-methyl-4-(2-naphthalenyl)-
CAS Number:
1256444-36-6
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
1-methyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C17H19NO2/c1-18-10-8-17(9-11-18,16(19)20)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3,(H,19,20)
InChI Key:
ZJOMGAOEGCGMPI-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)(C(=O)O)c1ccc2c(c1)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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