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3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline

3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline

CAS: 853296-94-3

Formula: C13H18F3N3

SMILES: CN1CCN(CC2=CC(N)=CC(=C2)C(F)(F)F)CC1

IUPAC: 3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline

InChI: InChI=1S/C13H18F3N3/c1-18-2-4-19(5-3-18)9-10-6-11(13(14,15)16)8-12(17)7-10/h6-8H,2-5,9,17H2,1H3

Composition: C (57.13%), H (6.64%), F (20.85%), N (15.38%)

Molar Mass: 273.303

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 273.145282081
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DYBVNOUCRJYHCQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.32
Topological Polar Surface Area 32.5
Polarizability 25.86
Ring Count 2
Rotatable Bond Count 3

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