N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride

C11H16ClF3N4 — CID 161351498

IUPACN-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride
SMILESCNC1CCN(c2cnc(C(F)(F)F)cn2)CC1.Cl
InChIInChI=1S/C11H15F3N4.ClH/c1-15-8-2-4-18(5-3-8)10-7-16-9(6-17-10)11(12,13)14;/h6-8,15H,2-5H2,1H3;1H
InChIKeyJZZPGAGESIRKMQ-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.11
Rot. Bonds2

About N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride

N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride (PubChem CID 161351498) has the molecular formula C11H16ClF3N4 and a molecular weight of 296.72 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride
PubChem CID161351498
Molecular FormulaC11H16ClF3N4
Molecular Weight296.72 g/mol
Exact Mass296.10
IUPAC NameN-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride
SMILESCNC1CCN(c2cnc(C(F)(F)F)cn2)CC1.Cl
InChIInChI=1S/C11H15F3N4.ClH/c1-15-8-2-4-18(5-3-8)10-7-16-9(6-17-10)11(12,13)14;/h6-8,15H,2-5H2,1H3;1H
InChIKeyJZZPGAGESIRKMQ-UHFFFAOYSA-N
XLogP2.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine
CID 118013195
(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
CID 166704368
5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175889178
N-methyl-1-(5-methylpyridazin-3-yl)piperidin-4-amine
CID 106549207
5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054778
5-[5-(trifluoromethyl)pyrazin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 175970009
(1S,4R)-2-[5-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[2.2.1]heptane
CID 144513339
5-(4-tert-butylpiperidin-1-yl)pyrazin-2-amine
CID 80652911
(6S,7S)-6-hydroxy-7-(trifluoromethyl)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-3,4,6,7-tetrahydroisoindol-5-one;(6R,7R)-6-hydroxy-7-(trifluoromethyl)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-3,4,6,7-tetrahydroisoindol-5-one
CID 158952576
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride (CID 161351498) is N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride is CNC1CCN(c2cnc(C(F)(F)F)cn2)CC1.Cl.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride?
The InChIKey is JZZPGAGESIRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4.ClH/c1-15-8-2-4-18(5-3-8)10-7-16-9(6-17-10)11(12,13)14;/h6-8,15H,2-5H2,1H3;1H.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride?
N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride has a molecular weight of 296.72 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 161351498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).