[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride

C15H21BrClF3N2O2 — CID 120843794

IUPAC[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C(CN)C1.Cl
InChIInChI=1S/C15H20BrF3N2O2.ClH/c1-22-12-4-5-21(11(7-12)8-20)9-10-2-3-14(13(16)6-10)23-15(17,18)19;/h2-3,6,11-12H,4-5,7-9,20H2,1H3;1H
InChIKeyWCVUYLCMQMHGQW-UHFFFAOYSA-N
MW433.70 g/mol
LogP3.71
Rot. Bonds5

About [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride

[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride (PubChem CID 120843794) has the molecular formula C15H21BrClF3N2O2 and a molecular weight of 433.70 g/mol. Its IUPAC name is [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
PubChem CID120843794
Molecular FormulaC15H21BrClF3N2O2
Molecular Weight433.70 g/mol
Exact Mass432.04
IUPAC Name[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C(CN)C1.Cl
InChIInChI=1S/C15H20BrF3N2O2.ClH/c1-22-12-4-5-21(11(7-12)8-20)9-10-2-3-14(13(16)6-10)23-15(17,18)19;/h2-3,6,11-12H,4-5,7-9,20H2,1H3;1H
InChIKeyWCVUYLCMQMHGQW-UHFFFAOYSA-N
XLogP3.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963575
[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693
1-[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838215
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729
[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843737
[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843790
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
3-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-4-methoxybenzonitrile
CID 115963753

Frequently Asked Questions

What is the IUPAC name of [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride (CID 120843794) is [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride is COC1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C(CN)C1.Cl.
What is the InChIKey of [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is WCVUYLCMQMHGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2O2.ClH/c1-22-12-4-5-21(11(7-12)8-20)9-10-2-3-14(13(16)6-10)23-15(17,18)19;/h2-3,6,11-12H,4-5,7-9,20H2,1H3;1H.
What are the key properties of [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 433.70 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120843794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).