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165606-80-4 | 4-Piperidineethanol, 1-(4-nitrophenyl)-
CAS No: 165606-80-4 Catalog No: AG001W89 MDL No:
Product Description
Catalog Number:
AG001W89
Chemical Name:
4-Piperidineethanol, 1-(4-nitrophenyl)-
CAS Number:
165606-80-4
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
2-[1-(4-nitrophenyl)piperidin-4-yl]ethanol
InChI:
InChI=1S/C13H18N2O3/c16-10-7-11-5-8-14(9-6-11)12-1-3-13(4-2-12)15(17)18/h1-4,11,16H,5-10H2
InChI Key:
MNRDSPBDDKOWKJ-UHFFFAOYSA-N
SMILES:
OCCC1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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