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96064-42-5 | 1-[3-(DIPROPYLAMINO)PROPANOYL]-4-PHENYL-PIPERIDINE-4-CARBALDEHYDE
CAS No: 96064-42-5 Catalog No: AG0068YK MDL No:
Product Description
Catalog Number:
AG0068YK
Chemical Name:
1-[3-(DIPROPYLAMINO)PROPANOYL]-4-PHENYL-PIPERIDINE-4-CARBALDEHYDE
CAS Number:
96064-42-5
Molecular Formula:
C21H32N2O2
Molecular Weight:
344.4910
IUPAC Name:
1-[3-(dipropylamino)propanoyl]-4-phenylpiperidine-4-carbaldehyde
InChI:
InChI=1S/C21H32N2O2/c1-3-13-22(14-4-2)15-10-20(25)23-16-11-21(18-24,12-17-23)19-8-6-5-7-9-19/h5-9,18H,3-4,10-17H2,1-2H3
InChI Key:
QAJQHXZERVNBEU-UHFFFAOYSA-N
SMILES:
CCCN(CCC)CCC(=O)N1CCC(CC1)(C=O)c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.246g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.499g/mol
Monoisotopic Mass:
344.246g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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