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Home > Pyridines > 845552-76-3
845552-76-3 | Spiro[piperidine-4,3'-[3H]pyrrolo[2,3-b]pyridine], 1',2'-dihydro-1-(phenylMethyl)-
CAS No: 845552-76-3 Catalog No: AG00G9DX MDL No:MFCD27987609
Product Description
Catalog Number:
AG00G9DX
Chemical Name:
Spiro[piperidine-4,3'-[3H]pyrrolo[2,3-b]pyridine], 1',2'-dihydro-1-(phenylMethyl)-
CAS Number:
845552-76-3
Molecular Formula:
C18H21N3
Molecular Weight:
279.3794
MDL Number:
MFCD27987609
IUPAC Name:
1'-benzylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine]
InChI:
InChI=1S/C18H21N3/c1-2-5-15(6-3-1)13-21-11-8-18(9-12-21)14-20-17-16(18)7-4-10-19-17/h1-7,10H,8-9,11-14H2,(H,19,20)
InChI Key:
VUZVTRCSZJXZQL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC2(CC1)CNc1c2cccn1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.387g/mol
Monoisotopic Mass:
279.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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