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

C15H21F3N2 — CID 103440567

IUPAC[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccc(C(F)(F)F)cc2)C(CN)C1
InChIInChI=1S/C15H21F3N2/c1-11-6-7-20(14(8-11)9-19)10-12-2-4-13(5-3-12)15(16,17)18/h2-5,11,14H,6-10,19H2,1H3
InChIKeyJLPIKOLSKMQYDQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.26
Rot. Bonds3

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

[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine (PubChem CID 103440567) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
PubChem CID103440567
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccc(C(F)(F)F)cc2)C(CN)C1
InChIInChI=1S/C15H21F3N2/c1-11-6-7-20(14(8-11)9-19)10-12-2-4-13(5-3-12)15(16,17)18/h2-5,11,14H,6-10,19H2,1H3
InChIKeyJLPIKOLSKMQYDQ-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
CID 80504637
[4-methyl-1-[(4-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103440433
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103442162
(2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 137340003
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883161
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine (CID 103440567) is [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine is CC1CCN(Cc2ccc(C(F)(F)F)cc2)C(CN)C1.
What is the InChIKey of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine?
The InChIKey is JLPIKOLSKMQYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11-6-7-20(14(8-11)9-19)10-12-2-4-13(5-3-12)15(16,17)18/h2-5,11,14H,6-10,19H2,1H3.
What are the key properties of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine?
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine has a molecular weight of 286.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103440567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).