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180532-65-4 | Piperazine, 1-[1-(phenylmethyl)-4-piperidinyl]-
CAS No: 180532-65-4 Catalog No: AG002235 MDL No:
Product Description
Catalog Number:
AG002235
Chemical Name:
Piperazine, 1-[1-(phenylmethyl)-4-piperidinyl]-
CAS Number:
180532-65-4
Molecular Formula:
C16H25N3
Molecular Weight:
259.3898
IUPAC Name:
1-(1-benzylpiperidin-4-yl)piperazine
InChI:
InChI=1S/C16H25N3/c1-2-4-15(5-3-1)14-18-10-6-16(7-11-18)19-12-8-17-9-13-19/h1-5,16-17H,6-14H2
InChI Key:
MDLTWIOGYBLZDN-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)C1CCN(CC1)Cc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.205g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.397g/mol
Monoisotopic Mass:
259.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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