4-(3-nitrophenoxymethyl)piperidine

4-(3-nitrophenoxymethyl)piperidine

CAS: 946725-50-4

Formula: C12H16N2O3

SMILES: [O-][N+](=O)C1=CC=CC(OCC2CCNCC2)=C1

IUPAC: 4-[(3-nitrophenoxy)methyl]piperidine

InChI: InChI=1S/C12H16N2O3/c15-14(16)11-2-1-3-12(8-11)17-9-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7,9H2

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.116092383
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LLXBDOWFCKLGEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.82
Topological Polar Surface Area	64.4
Polarizability	24.72
Ring Count	2
Rotatable Bond Count	4

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