CAS 79421-45-7 | 1-(4-Nitrophenyl);piperidin-4-ol | CAS Number 79421-45-7

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79421-45-7 | 1-(4-Nitrophenyl);piperidin-4-ol

CAS No: 79421-45-7 Catalog No: AG00520D MDL No:MFCD00215518

Product Description

Catalog Number:

AG00520D

Chemical Name:

1-(4-Nitrophenyl);piperidin-4-ol

CAS Number:

79421-45-7

Molecular Formula:

C11H14N2O3

Molecular Weight:

222.2405

MDL Number:

MFCD00215518

IUPAC Name:

1-(4-nitrophenyl)piperidin-4-ol

InChI:

InChI=1S/C11H14N2O3/c14-11-5-7-12(8-6-11)9-1-3-10(4-2-9)13(15)16/h1-4,11,14H,5-8H2

InChI Key:

RNPWPESLLCUROD-UHFFFAOYSA-N

SMILES:

OC1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.244g/mol

Monoisotopic Mass:

222.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium 2-(2-phenyl-eth-yl)benzoate.	Acta crystallographica. Section E, Structure reports online 20110701
Bis[4-(4-chloro-phen-yl)-4-hydroxy-piperidinium] dipicrate dimethyl sulfoxide solvate.	Acta crystallographica. Section E, Structure reports online 20100501