4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine

C14H19F3N2O — CID 107104811

IUPAC4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
SMILESCC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1N
InChIInChI=1S/C14H19F3N2O/c1-10-5-6-19(9-13(10)18)8-11-3-2-4-12(7-11)20-14(15,16)17/h2-4,7,10,13H,5-6,8-9,18H2,1H3
InChIKeyRAWPVSOEGFSGKH-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.75
Rot. Bonds3

About 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine

4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine (PubChem CID 107104811) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
PubChem CID107104811
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
SMILESCC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1N
InChIInChI=1S/C14H19F3N2O/c1-10-5-6-19(9-13(10)18)8-11-3-2-4-12(7-11)20-14(15,16)17/h2-4,7,10,13H,5-6,8-9,18H2,1H3
InChIKeyRAWPVSOEGFSGKH-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
CID 75439246
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122125387
[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine
CID 166244914
1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol
CID 165424536
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
CID 174928959
CID 174928959

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine (CID 107104811) is 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine is CC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1N.
What is the InChIKey of 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The InChIKey is RAWPVSOEGFSGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-5-6-19(9-13(10)18)8-11-3-2-4-12(7-11)20-14(15,16)17/h2-4,7,10,13H,5-6,8-9,18H2,1H3.
What are the key properties of 4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine has a molecular weight of 288.31 g/mol, XLogP of 2.75, 3 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-3-amine is sourced from PubChem (CID 107104811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).