(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone

C13H14F3NO2 — CID 63189041

IUPAC(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCOC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C13H14F3NO2/c1-19-9-2-4-17(5-3-9)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,2-5H2,1H3
InChIKeyDBLCGHQKTZPELE-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.35
Rot. Bonds2

About (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone

(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 63189041) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID63189041
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCOC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C13H14F3NO2/c1-19-9-2-4-17(5-3-9)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,2-5H2,1H3
InChIKeyDBLCGHQKTZPELE-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188677
[3-(dimethylamino)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 55159465
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
1-(3,4,5-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 55160200
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone (CID 63189041) is (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone is COC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is DBLCGHQKTZPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-19-9-2-4-17(5-3-9)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,2-5H2,1H3.
What are the key properties of (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 273.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63189041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).