1-(3-methyl-4-nitrophenyl)piperazine

1-(3-methyl-4-nitrophenyl)piperazine

CAS: 192441-84-2

Formula: C11H15N3O2

SMILES: CC1=C(C=CC(=C1)N1CCNCC1)[N+]([O-])=O

IUPAC: 1-(3-methyl-4-nitrophenyl)piperazine

InChI: InChI=1S/C11H15N3O2/c1-9-8-10(2-3-11(9)14(15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3

Composition: C (59.71%), H (6.83%), N (18.99%), O (14.46%)

Molar Mass: 221.26

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.116426735
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GVXFGLBTILOVGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.6
Topological Polar Surface Area	58.41
Polarizability	23.26
Ring Count	2
Rotatable Bond Count	2

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