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100875-44-3 | Ethanone, 2-[(phenylmethyl)amino]-1-(1-piperidinyl)-
CAS No: 100875-44-3 Catalog No: AG00033J MDL No:
Product Description
Catalog Number:
AG00033J
Chemical Name:
Ethanone, 2-[(phenylmethyl)amino]-1-(1-piperidinyl)-
CAS Number:
100875-44-3
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
2-(benzylamino)-1-piperidin-1-ylethanone
InChI:
InChI=1S/C14H20N2O/c17-14(16-9-5-2-6-10-16)12-15-11-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-12H2
InChI Key:
NTFBDIVZKAKFBS-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)CNCc1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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