N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine

N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine

CAS: 211247-60-8

Formula: C13H19N3O2

SMILES: CN(C)C1CCN(CC1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine

InChI: InChI=1S/C13H19N3O2/c1-14(2)11-7-9-15(10-8-11)12-3-5-13(6-4-12)16(17)18/h3-6,11H,7-10H2,1-2H3

Composition: C (62.63%), H (7.68%), N (16.85%), O (12.83%)

Molar Mass: 249.314

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.147726864
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OCTNQAZYWLBDEB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.26
Topological Polar Surface Area	49.62
Polarizability	27.01
Ring Count	2
Rotatable Bond Count	3

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