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Home > Pyridines > 865076-07-9
865076-07-9 | 2-{2-[4-(3-{1-[2-(Pyridin-2-yl)ethyl]piperidin-4-yl}propyl)piperidin-1-yl]ethyl}pyridine
CAS No: 865076-07-9 Catalog No: AG01EXYY MDL No:MFCD03826625
Product Description
Catalog Number:
AG01EXYY
Chemical Name:
2-{2-[4-(3-{1-[2-(Pyridin-2-yl)ethyl]piperidin-4-yl}propyl)piperidin-1-yl]ethyl}pyridine
CAS Number:
865076-07-9
Molecular Formula:
C27H40N4
Molecular Weight:
420.6333
MDL Number:
MFCD03826625
IUPAC Name:
2-[2-[4-[3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]propyl]piperidin-1-yl]ethyl]pyridine
InChI:
InChI=1S/C27H40N4/c1-3-16-28-26(8-1)14-22-30-18-10-24(11-19-30)6-5-7-25-12-20-31(21-13-25)23-15-27-9-2-4-17-29-27/h1-4,8-9,16-17,24-25H,5-7,10-15,18-23H2
InChI Key:
SEVAYKLDFUPKMC-UHFFFAOYSA-N
SMILES:
C(CC1CCN(CC1)CCc1ccccn1)CC1CCN(CC1)CCc1ccccn1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.325g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.645g/mol
Monoisotopic Mass:
420.325g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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