[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine

C12H18F3N3OS — CID 120843786

IUPAC[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2cnc(C(F)(F)F)s2)C(CN)C1
InChIInChI=1S/C12H18F3N3OS/c1-19-9-2-3-18(8(4-9)5-16)7-10-6-17-11(20-10)12(13,14)15/h6,8-9H,2-5,7,16H2,1H3
InChIKeyCSRSOQWDGKMARQ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.10
Rot. Bonds4

About [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine

[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine (PubChem CID 120843786) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
PubChem CID120843786
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2cnc(C(F)(F)F)s2)C(CN)C1
InChIInChI=1S/C12H18F3N3OS/c1-19-9-2-3-18(8(4-9)5-16)7-10-6-17-11(20-10)12(13,14)15/h6,8-9H,2-5,7,16H2,1H3
InChIKeyCSRSOQWDGKMARQ-UHFFFAOYSA-N
XLogP2.10
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine with MolForge

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Related Compounds

[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622518
[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963568
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843790
[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 112622487
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729
[4-methoxy-1-(4,4,4-trifluorobutyl)piperidin-2-yl]methanamine
CID 112622508
[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 112622698
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120834528
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622776
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine (CID 120843786) is [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine is COC1CCN(Cc2cnc(C(F)(F)F)s2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine?
The InChIKey is CSRSOQWDGKMARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-19-9-2-3-18(8(4-9)5-16)7-10-6-17-11(20-10)12(13,14)15/h6,8-9H,2-5,7,16H2,1H3.
What are the key properties of [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine has a molecular weight of 309.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 120843786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).