(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid

C16H20F3NO5 — CID 46781364

IUPAC(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(C(=O)C2CCNCC2)c1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19NO3.C2HF3O2/c1-17-12-5-3-4-11(14(12)18-2)13(16)10-6-8-15-9-7-10;3-2(4,5)1(6)7/h3-5,10,15H,6-9H2,1-2H3;(H,6,7)
InChIKeyNYTCADZFPZZWEW-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.52
Rot. Bonds4

About (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid

(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 46781364) has the molecular formula C16H20F3NO5 and a molecular weight of 363.33 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID46781364
Molecular FormulaC16H20F3NO5
Molecular Weight363.33 g/mol
Exact Mass363.13
IUPAC Name(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(C(=O)C2CCNCC2)c1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19NO3.C2HF3O2/c1-17-12-5-3-4-11(14(12)18-2)13(16)10-6-8-15-9-7-10;3-2(4,5)1(6)7/h3-5,10,15H,6-9H2,1-2H3;(H,6,7)
InChIKeyNYTCADZFPZZWEW-UHFFFAOYSA-N
XLogP2.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
(5-chloro-2,3,4-trimethoxyphenyl)-piperidin-4-ylmethanone
CID 96709317
tert-butyl formate;piperidin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 174725073
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826026
tert-butyl 4-(2,3-dimethoxybenzoyl)piperidine-1-carboxylate;4-(2,3-dimethoxyphenyl)piperidine-4-carbaldehyde
CID 86585529
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 172895401
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
2-methoxy-4-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230068

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 46781364) is (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid is COc1cccc(C(=O)C2CCNCC2)c1OC.O=C(O)C(F)(F)F.
What is the InChIKey of (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is NYTCADZFPZZWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.C2HF3O2/c1-17-12-5-3-4-11(14(12)18-2)13(16)10-6-8-15-9-7-10;3-2(4,5)1(6)7/h3-5,10,15H,6-9H2,1-2H3;(H,6,7).
What are the key properties of (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid?
(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 363.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46781364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).