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

C15H22F2N2O — CID 115526779

IUPAC2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCN(C(CN)c2cccc(C(F)F)c2)CC1
InChIInChI=1S/C15H22F2N2O/c1-20-13-5-7-19(8-6-13)14(10-18)11-3-2-4-12(9-11)15(16)17/h2-4,9,13-15H,5-8,10,18H2,1H3
InChIKeyXCRGUZVWJFYJLV-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.73
Rot. Bonds5

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

2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine (PubChem CID 115526779) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
PubChem CID115526779
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCN(C(CN)c2cccc(C(F)F)c2)CC1
InChIInChI=1S/C15H22F2N2O/c1-20-13-5-7-19(8-6-13)14(10-18)11-3-2-4-12(9-11)15(16)17/h2-4,9,13-15H,5-8,10,18H2,1H3
InChIKeyXCRGUZVWJFYJLV-UHFFFAOYSA-N
XLogP2.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.73
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-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine
CID 115526755
2-(3-methoxypyrrolidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104696
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 115526864
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 103569451

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine (CID 115526779) is 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine is COC1CCN(C(CN)c2cccc(C(F)F)c2)CC1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine?
The InChIKey is XCRGUZVWJFYJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-20-13-5-7-19(8-6-13)14(10-18)11-3-2-4-12(9-11)15(16)17/h2-4,9,13-15H,5-8,10,18H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine?
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine has a molecular weight of 284.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 115526779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).