1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one

C15H18F3NO3 — CID 145486092

IUPAC1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO3/c1-2-14(20)19-8-6-11(7-9-19)21-12-4-3-5-13(10-12)22-15(16,17)18/h3-5,10-11H,2,6-9H2,1H3
InChIKeyVJONAKQNSJAZAD-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.37
Rot. Bonds4

About 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one

1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one (PubChem CID 145486092) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
PubChem CID145486092
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3NO3/c1-2-14(20)19-8-6-11(7-9-19)21-12-4-3-5-13(10-12)22-15(16,17)18/h3-5,10-11H,2,6-9H2,1H3
InChIKeyVJONAKQNSJAZAD-UHFFFAOYSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
CID 70664464
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one (CID 145486092) is 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one?
The InChIKey is VJONAKQNSJAZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-2-14(20)19-8-6-11(7-9-19)21-12-4-3-5-13(10-12)22-15(16,17)18/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one?
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one has a molecular weight of 317.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 145486092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).