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

C15H21F3N2O — CID 102965130

IUPAC2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOC1CCCN(C(CN)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2O/c1-21-13-6-3-7-20(10-13)14(9-19)11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13-14H,3,6-7,9-10,19H2,1H3
InChIKeyFJCWJIAROBSPRF-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds4

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

2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 102965130) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID102965130
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOC1CCCN(C(CN)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2O/c1-21-13-6-3-7-20(10-13)14(9-19)11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13-14H,3,6-7,9-10,19H2,1H3
InChIKeyFJCWJIAROBSPRF-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

2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115559424
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79188682
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104696
2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 16792620
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 60917996
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 102965130) is 2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is COC1CCCN(C(CN)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FJCWJIAROBSPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-21-13-6-3-7-20(10-13)14(9-19)11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13-14H,3,6-7,9-10,19H2,1H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
2-(3-methoxypiperidin-1-yl)-2-[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-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 102965130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).