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

C14H17F3N2O2 — CID 165404119

IUPAC1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O2/c1-9(20)19-6-4-11(5-7-19)21-13-3-2-10(18)8-12(13)14(15,16)17/h2-3,8,11H,4-7,18H2,1H3
InChIKeyXZWYEVHALXBHMV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.68
Rot. Bonds2

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

1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (PubChem CID 165404119) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
PubChem CID165404119
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O2/c1-9(20)19-6-4-11(5-7-19)21-13-3-2-10(18)8-12(13)14(15,16)17/h2-3,8,11H,4-7,18H2,1H3
InChIKeyXZWYEVHALXBHMV-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (CID 165404119) is 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2ccc(N)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The InChIKey is XZWYEVHALXBHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(20)19-6-4-11(5-7-19)21-13-3-2-10(18)8-12(13)14(15,16)17/h2-3,8,11H,4-7,18H2,1H3.
What are the key properties of 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone has a molecular weight of 302.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 165404119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).