N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride

C13H21ClF3N3S — CID 120843557

IUPACN-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl
InChIInChI=1S/C13H20F3N3S.ClH/c1-17-5-2-10-3-6-19(7-4-10)9-11-8-18-12(20-11)13(14,15)16;/h8,10,17H,2-7,9H2,1H3;1H
InChIKeyGGJXFWJHLKMUCE-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.41
Rot. Bonds5

About N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride

N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 120843557) has the molecular formula C13H21ClF3N3S and a molecular weight of 343.85 g/mol. Its IUPAC name is N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID120843557
Molecular FormulaC13H21ClF3N3S
Molecular Weight343.85 g/mol
Exact Mass343.11
IUPAC NameN-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl
InChIInChI=1S/C13H20F3N3S.ClH/c1-17-5-2-10-3-6-19(7-4-10)9-11-8-18-12(20-11)13(14,15)16;/h8,10,17H,2-7,9H2,1H3;1H
InChIKeyGGJXFWJHLKMUCE-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride (CID 120843557) is N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride is CNCCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl.
What is the InChIKey of N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is GGJXFWJHLKMUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S.ClH/c1-17-5-2-10-3-6-19(7-4-10)9-11-8-18-12(20-11)13(14,15)16;/h8,10,17H,2-7,9H2,1H3;1H.
What are the key properties of N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120843557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).