[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate

C15H18F3NO2 — CID 117125836

IUPAC[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate
SMILESO=C(CCC1CCNCC1)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)12-2-1-3-13(10-12)21-14(20)5-4-11-6-8-19-9-7-11/h1-3,10-11,19H,4-9H2
InChIKeyWVVKECCZNKCOLA-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.39
Rot. Bonds4

About [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate

[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate (PubChem CID 117125836) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate
PubChem CID117125836
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate
SMILESO=C(CCC1CCNCC1)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)12-2-1-3-13(10-12)21-14(20)5-4-11-6-8-19-9-7-11/h1-3,10-11,19H,4-9H2
InChIKeyWVVKECCZNKCOLA-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl) 3-piperidin-4-ylpropanoate
CID 117125845
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
4,5-dioxo-5-[3-(trifluoromethyl)phenoxy]pentanoic acid
CID 11565511
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 116996854
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
CID 142321476
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
piperidin-4-yl 3-(trifluoromethyl)benzoate
CID 162771690
(3S)-3-[(1S)-2-methylsulfanyl-1-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66860712
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate?
The IUPAC name of [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate (CID 117125836) is [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate is O=C(CCC1CCNCC1)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate?
The InChIKey is WVVKECCZNKCOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)12-2-1-3-13(10-12)21-14(20)5-4-11-6-8-19-9-7-11/h1-3,10-11,19H,4-9H2.
What are the key properties of [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate?
[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate has a molecular weight of 301.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate is sourced from PubChem (CID 117125836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).