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

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

CAS: 198281-54-8

Formula: C12H17N3O2

SMILES: CN1CCN(CC2=CC=CC(=C2)[N+]([O-])=O)CC1

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

InChI: InChI=1S/C12H17N3O2/c1-13-5-7-14(8-6-13)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3

Composition: C (61.26%), H (7.28%), N (17.86%), O (13.60%)

Molar Mass: 235.287

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.132076799
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QXWROCIDLCOGKL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.97
Topological Polar Surface Area 49.62
Polarizability 25.55
Ring Count 2
Rotatable Bond Count 3

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