[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride

C16H24ClF3N2O — CID 120843729

IUPAC[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(Cc2ccc(C(F)(F)F)cc2C)C(CN)C1.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-11-7-13(16(17,18)19)4-3-12(11)10-21-6-5-15(22-2)8-14(21)9-20;/h3-4,7,14-15H,5-6,8-10,20H2,1-2H3;1H
InChIKeyIBTPPLHCIIDCRP-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.37
Rot. Bonds4

About [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride

[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 120843729) has the molecular formula C16H24ClF3N2O and a molecular weight of 352.83 g/mol. Its IUPAC name is [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID120843729
Molecular FormulaC16H24ClF3N2O
Molecular Weight352.83 g/mol
Exact Mass352.15
IUPAC Name[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(Cc2ccc(C(F)(F)F)cc2C)C(CN)C1.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-11-7-13(16(17,18)19)4-3-12(11)10-21-6-5-15(22-2)8-14(21)9-20;/h3-4,7,14-15H,5-6,8-10,20H2,1-2H3;1H
InChIKeyIBTPPLHCIIDCRP-UHFFFAOYSA-N
XLogP3.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843790
(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979840
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843794
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
[5-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120842986
[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 120843786
[1-[(4-chloro-2-nitrophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963817
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622776

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride (CID 120843729) is [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride is COC1CCN(Cc2ccc(C(F)(F)F)cc2C)C(CN)C1.Cl.
What is the InChIKey of [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is IBTPPLHCIIDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O.ClH/c1-11-7-13(16(17,18)19)4-3-12(11)10-21-6-5-15(22-2)8-14(21)9-20;/h3-4,7,14-15H,5-6,8-10,20H2,1-2H3;1H.
What are the key properties of [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride?
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120843729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).