2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine

C15H21F3N2O — CID 102968834

IUPAC2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
SMILESCOC1CCCN(c2ccc(CCN)cc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2O/c1-21-12-3-2-8-20(10-12)14-5-4-11(6-7-19)9-13(14)15(16,17)18/h4-5,9,12H,2-3,6-8,10,19H2,1H3
InChIKeyCHJSXDHUZIAGCJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds4

About 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine

2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 102968834) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID102968834
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
SMILESCOC1CCCN(c2ccc(CCN)cc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2O/c1-21-12-3-2-8-20(10-12)14-5-4-11(6-7-19)9-13(14)15(16,17)18/h4-5,9,12H,2-3,6-8,10,19H2,1H3
InChIKeyCHJSXDHUZIAGCJ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 102955751
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)piperidine
CID 106587694
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)pyrrolidine
CID 107084064
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 102958460
5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide
CID 102955753
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960143
[4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 79686371

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine (CID 102968834) is 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine is COC1CCCN(c2ccc(CCN)cc2C(F)(F)F)C1.
What is the InChIKey of 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CHJSXDHUZIAGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-21-12-3-2-8-20(10-12)14-5-4-11(6-7-19)9-13(14)15(16,17)18/h4-5,9,12H,2-3,6-8,10,19H2,1H3.
What are the key properties of 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine?
2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 102968834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).