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106243-49-6 | Piperidine,4-(1H-imidazol-5-yl)-1-(2-phenylethyl)-
CAS No: 106243-49-6 Catalog No: AG007D4T MDL No:
Product Description
Catalog Number:
AG007D4T
Chemical Name:
Piperidine,4-(1H-imidazol-5-yl)-1-(2-phenylethyl)-
CAS Number:
106243-49-6
Molecular Formula:
C16H21N3
Molecular Weight:
255.3580
IUPAC Name:
4-(1H-imidazol-5-yl)-1-(2-phenylethyl)piperidine
InChI:
InChI=1S/C16H21N3/c1-2-4-14(5-3-1)6-9-19-10-7-15(8-11-19)16-12-17-13-18-16/h1-5,12-13,15H,6-11H2,(H,17,18)
InChI Key:
BPJGDQYYWXUQRI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCN1CCC(CC1)c1c[nH]cn1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.365g/mol
Monoisotopic Mass:
255.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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