4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid

C16H20F3NO2 — CID 67084526

IUPAC4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)14-6-4-12(5-7-14)2-1-3-13-8-10-20(11-9-13)15(21)22/h4-7,13H,1-3,8-11H2,(H,21,22)
InChIKeyHRWLYFRLEWRGJD-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.42
Rot. Bonds4

About 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid

4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid (PubChem CID 67084526) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid
PubChem CID67084526
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)14-6-4-12(5-7-14)2-1-3-13-8-10-20(11-9-13)15(21)22/h4-7,13H,1-3,8-11H2,(H,21,22)
InChIKeyHRWLYFRLEWRGJD-UHFFFAOYSA-N
XLogP4.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 897795
1-(4-Benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10852816
tert-Butyl 4-(aminomethyl)-4-[4-(trifluoromethyl)benzyl]piperidine-1-carboxylate
CID 86276747
Methyl 4-benzylpiperidine-1-carboxylate
CID 1530077
Tert-butyl 4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 11301928
Tert-butyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 11312007
1-(tert-Butoxycarbonyl)-3-(4-(trifluoromethyl)phenyl)piperidine
CID 102106849
3-[2-(2,6-Difluorophenyl)ethyl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 45221251
1-Piperidin-1-yl-9-[4-(trifluoromethyl)phenyl]nonan-1-one
CID 171357219
1-tert-Butoxycarbonyl-4fluoro-4-[2-(4-fluorophenyl)ethyl]piperidine
CID 10687516
tert-Butyl 3-(4-fluorobenzyl)piperidine-1-carboxylate
CID 12174826
tert-butyl (3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 12174827

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid (CID 67084526) is 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CCCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid?
The InChIKey is HRWLYFRLEWRGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)14-6-4-12(5-7-14)2-1-3-13-8-10-20(11-9-13)15(21)22/h4-7,13H,1-3,8-11H2,(H,21,22).
What are the key properties of 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid?
4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67084526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).