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Home > Aldehydes > 254115-92-9
254115-92-9 | 1-(1-Benzylpiperidin-4-yl)-1H-pyrrole-2-carbaldehyde
CAS No: 254115-92-9 Catalog No: AG01EUM9 MDL No:
Product Description
Catalog Number:
AG01EUM9
Chemical Name:
1-(1-Benzylpiperidin-4-yl)-1H-pyrrole-2-carbaldehyde
CAS Number:
254115-92-9
Molecular Formula:
C17H20N2O
Molecular Weight:
268.3535
IUPAC Name:
1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C17H20N2O/c20-14-17-7-4-10-19(17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2
InChI Key:
DYCKCLZHSRKOSL-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1C1CCN(CC1)Cc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.36g/mol
Monoisotopic Mass:
268.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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