[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine

C13H18F3N3 — CID 18543532

IUPAC[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
SMILESCN1CCN(c2ccc(CN)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)12-3-2-10(9-17)8-11(12)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKeyQGJUCHRURPVLNZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.92
Rot. Bonds2

About [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine

[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 18543532) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
PubChem CID18543532
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
SMILESCN1CCN(c2ccc(CN)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)12-3-2-10(9-17)8-11(12)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKeyQGJUCHRURPVLNZ-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine (CID 18543532) is [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine is CN1CCN(c2ccc(CN)cc2C(F)(F)F)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QGJUCHRURPVLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)12-3-2-10(9-17)8-11(12)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 273.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 18543532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).