2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

C14H17F3N2O2 — CID 66591548

IUPAC2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-2-1-3-12(8-10)21-11-4-6-19(7-5-11)13(20)9-18/h1-3,8,11H,4-7,9,18H2
InChIKeyUJWBFVKKNZXICC-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.03
Rot. Bonds3

About 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (PubChem CID 66591548) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
PubChem CID66591548
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-2-1-3-12(8-10)21-11-4-6-19(7-5-11)13(20)9-18/h1-3,8,11H,4-7,9,18H2
InChIKeyUJWBFVKKNZXICC-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
CID 67479763
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591546
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
2-morpholin-2-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70714144
(3S)-4-methyl-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]piperazin-2-one
CID 26325608
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 131948055
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184
1-(4-pyrimidin-4-yloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121162129

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (CID 66591548) is 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The InChIKey is UJWBFVKKNZXICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-2-1-3-12(8-10)21-11-4-6-19(7-5-11)13(20)9-18/h1-3,8,11H,4-7,9,18H2.
What are the key properties of 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone has a molecular weight of 302.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 66591548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).