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88400-57-1 | Piperidine, 1-[1-imino-2-(4-methylphenyl)-2-oxoethyl]-
CAS No: 88400-57-1 Catalog No: AG004L8J MDL No:
Product Description
Catalog Number:
AG004L8J
Chemical Name:
Piperidine, 1-[1-imino-2-(4-methylphenyl)-2-oxoethyl]-
CAS Number:
88400-57-1
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
2-imino-1-(4-methylphenyl)-2-piperidin-1-ylethanone
InChI:
InChI=1S/C14H18N2O/c1-11-5-7-12(8-6-11)13(17)14(15)16-9-3-2-4-10-16/h5-8,15H,2-4,9-10H2,1H3
InChI Key:
MSDHMZNBCRKYGE-UHFFFAOYSA-N
SMILES:
O=C(C(=N)N1CCCCC1)c1ccc(cc1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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