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Home > Aldehydes > 113681-97-3
113681-97-3 | 1-Piperazinecarboxaldehyde, 4-(4-cyclopentylphenyl)-
CAS No: 113681-97-3 Catalog No: AG0009B8 MDL No:
Product Description
Catalog Number:
AG0009B8
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(4-cyclopentylphenyl)-
CAS Number:
113681-97-3
Molecular Formula:
C16H22N2O
Molecular Weight:
258.3587
IUPAC Name:
4-(4-cyclopentylphenyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C16H22N2O/c19-13-17-9-11-18(12-10-17)16-7-5-15(6-8-16)14-3-1-2-4-14/h5-8,13-14H,1-4,9-12H2
InChI Key:
XLVWSZWDEZAXJM-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)c1ccc(cc1)C1CCCC1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.365g/mol
Monoisotopic Mass:
258.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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