1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid

C16H20F3NO2 — CID 122035694

IUPAC1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid
SMILESCC(CN1CCC(C(=O)O)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-11(10-20-8-6-13(7-9-20)15(21)22)12-2-4-14(5-3-12)16(17,18)19/h2-5,11,13H,6-10H2,1H3,(H,21,22)
InChIKeyZVEHPWHZEPSTOC-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.61
Rot. Bonds4

About 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid

1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid (PubChem CID 122035694) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid
PubChem CID122035694
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid
SMILESCC(CN1CCC(C(=O)O)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-11(10-20-8-6-13(7-9-20)15(21)22)12-2-4-14(5-3-12)16(17,18)19/h2-5,11,13H,6-10H2,1H3,(H,21,22)
InChIKeyZVEHPWHZEPSTOC-UHFFFAOYSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(trifluoromethyl)phenyl]propyl]azetidine-3-carboxylic acid
CID 122046781
(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid
CID 122038316
4-[3-[4-(trifluoromethyl)phenyl]butanoylamino]cyclohexane-1-carboxylic acid
CID 119230390
3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid
CID 122046240
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
1-[(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4241880
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 94391399
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4653143
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
(2R,4S)-1-[(4-propan-2-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 140522657
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 63900261

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid (CID 122035694) is 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid is CC(CN1CCC(C(=O)O)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid?
The InChIKey is ZVEHPWHZEPSTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-11(10-20-8-6-13(7-9-20)15(21)22)12-2-4-14(5-3-12)16(17,18)19/h2-5,11,13H,6-10H2,1H3,(H,21,22).
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid?
1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122035694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).