[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine

C12H16BrF3N4 — CID 106796604

IUPAC[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(c2ncc(Br)cc2C(F)(F)F)C(CN)C1
InChIInChI=1S/C12H16BrF3N4/c1-19-2-3-20(9(5-17)7-19)11-10(12(14,15)16)4-8(13)6-18-11/h4,6,9H,2-3,5,7,17H2,1H3
InChIKeyTZHRMKCTGKNSIX-UHFFFAOYSA-N
MW353.19 g/mol
LogP1.94
Rot. Bonds2

About [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine

[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 106796604) has the molecular formula C12H16BrF3N4 and a molecular weight of 353.19 g/mol. Its IUPAC name is [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID106796604
Molecular FormulaC12H16BrF3N4
Molecular Weight353.19 g/mol
Exact Mass352.05
IUPAC Name[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(c2ncc(Br)cc2C(F)(F)F)C(CN)C1
InChIInChI=1S/C12H16BrF3N4/c1-19-2-3-20(9(5-17)7-19)11-10(12(14,15)16)4-8(13)6-18-11/h4,6,9H,2-3,5,7,17H2,1H3
InChIKeyTZHRMKCTGKNSIX-UHFFFAOYSA-N
XLogP1.94
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine
CID 106797220
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine
CID 106796881
5-bromo-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)pyridine
CID 106797166
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
CID 106796608
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
4-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 80507061
5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106797048
[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine
CID 80506253
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506211
5-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106796587
[4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine
CID 80506485

Frequently Asked Questions

What is the IUPAC name of [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine (CID 106796604) is [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine is CN1CCN(c2ncc(Br)cc2C(F)(F)F)C(CN)C1.
What is the InChIKey of [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is TZHRMKCTGKNSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N4/c1-19-2-3-20(9(5-17)7-19)11-10(12(14,15)16)4-8(13)6-18-11/h4,6,9H,2-3,5,7,17H2,1H3.
What are the key properties of [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine?
[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 353.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 106796604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).