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

C14H20F3N3 — CID 123362955

IUPACN-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
SMILESCNc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N3/c1-18-13-8-11(7-12(9-13)14(15,16)17)10-20-5-3-19(2)4-6-20/h7-9,18H,3-6,10H2,1-2H3
InChIKeyVGOLSPMHIXGZCK-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.49
Rot. Bonds3

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

N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 123362955) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
PubChem CID123362955
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
SMILESCNc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N3/c1-18-13-8-11(7-12(9-13)14(15,16)17)10-20-5-3-19(2)4-6-20/h7-9,18H,3-6,10H2,1-2H3
InChIKeyVGOLSPMHIXGZCK-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline (CID 123362955) is N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline is CNc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is VGOLSPMHIXGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-18-13-8-11(7-12(9-13)14(15,16)17)10-20-5-3-19(2)4-6-20/h7-9,18H,3-6,10H2,1-2H3.
What are the key properties of N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline?
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 287.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 123362955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).