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26979-17-9 | 4-Piperidinecarboxaldehyde,1-ethyl-4-phenyl-
CAS No: 26979-17-9 Catalog No: AG007M7D MDL No:
Product Description
Catalog Number:
AG007M7D
Chemical Name:
4-Piperidinecarboxaldehyde,1-ethyl-4-phenyl-
CAS Number:
26979-17-9
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
1-ethyl-4-phenylpiperidine-4-carbaldehyde
InChI:
InChI=1S/C14H19NO/c1-2-15-10-8-14(12-16,9-11-15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChI Key:
WGLLQWKGWPHUSQ-UHFFFAOYSA-N
SMILES:
CCN1CCC(CC1)(C=O)c1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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