[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride

C12H20ClF3N4O — CID 120843790

IUPAC[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(Cc2cc(C(F)(F)F)n[nH]2)C(CN)C1.Cl
InChIInChI=1S/C12H19F3N4O.ClH/c1-20-10-2-3-19(9(5-10)6-16)7-8-4-11(18-17-8)12(13,14)15;/h4,9-10H,2-3,5-7,16H2,1H3,(H,17,18);1H
InChIKeyRMKXUOLEYBIIMK-UHFFFAOYSA-N
MW328.77 g/mol
LogP1.79
Rot. Bonds4

About [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride

[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 120843790) has the molecular formula C12H20ClF3N4O and a molecular weight of 328.77 g/mol. Its IUPAC name is [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID120843790
Molecular FormulaC12H20ClF3N4O
Molecular Weight328.77 g/mol
Exact Mass328.13
IUPAC Name[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(Cc2cc(C(F)(F)F)n[nH]2)C(CN)C1.Cl
InChIInChI=1S/C12H19F3N4O.ClH/c1-20-10-2-3-19(9(5-10)6-16)7-8-4-11(18-17-8)12(13,14)15;/h4,9-10H,2-3,5-7,16H2,1H3,(H,17,18);1H
InChIKeyRMKXUOLEYBIIMK-UHFFFAOYSA-N
XLogP1.79
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729
[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 120843786
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963568
[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843794
[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 112622487
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115963754
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
[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-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622518

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride (CID 120843790) is [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride is COC1CCN(Cc2cc(C(F)(F)F)n[nH]2)C(CN)C1.Cl.
What is the InChIKey of [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is RMKXUOLEYBIIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O.ClH/c1-20-10-2-3-19(9(5-10)6-16)7-8-4-11(18-17-8)12(13,14)15;/h4,9-10H,2-3,5-7,16H2,1H3,(H,17,18);1H.
What are the key properties of [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride?
[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 328.77 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120843790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).