1-[2-(4-nitrophenoxy)ethyl]piperidine

1-[2-(4-nitrophenoxy)ethyl]piperidine

CAS: 92033-76-6

Formula: C13H18N2O3

SMILES: [O-][N+](=O)C1=CC=C(OCCN2CCCCC2)C=C1

IUPAC: 1-[2-(4-nitrophenoxy)ethyl]piperidine

InChI: InChI=1S/C13H18N2O3/c16-15(17)12-4-6-13(7-5-12)18-11-10-14-8-2-1-3-9-14/h4-7H,1-3,8-11H2

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.131742448
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HLQQRQNEDYOBHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69
Topological Polar Surface Area	55.61
Polarizability	26.56
Ring Count	2
Rotatable Bond Count	5

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