[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine

C15H21F3N2O — CID 107104835

IUPAC[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
SMILESCC1CCN(Cc2cccc(OC(F)(F)F)c2)C(CN)C1
InChIInChI=1S/C15H21F3N2O/c1-11-5-6-20(13(7-11)9-19)10-12-3-2-4-14(8-12)21-15(16,17)18/h2-4,8,11,13H,5-7,9-10,19H2,1H3
InChIKeyMFQMYNMYKAYTMW-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.14
Rot. Bonds4

About [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine

[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine (PubChem CID 107104835) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
PubChem CID107104835
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
SMILESCC1CCN(Cc2cccc(OC(F)(F)F)c2)C(CN)C1
InChIInChI=1S/C15H21F3N2O/c1-11-5-6-20(13(7-11)9-19)10-12-3-2-4-14(8-12)21-15(16,17)18/h2-4,8,11,13H,5-7,9-10,19H2,1H3
InChIKeyMFQMYNMYKAYTMW-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770
[6-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104813
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
CID 95718043
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883161
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442162

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine (CID 107104835) is [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine is CC1CCN(Cc2cccc(OC(F)(F)F)c2)C(CN)C1.
What is the InChIKey of [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
The InChIKey is MFQMYNMYKAYTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-5-6-20(13(7-11)9-19)10-12-3-2-4-14(8-12)21-15(16,17)18/h2-4,8,11,13H,5-7,9-10,19H2,1H3.
What are the key properties of [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine?
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 107104835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).