1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid

C15H18F3NO3 — CID 119907237

IUPAC1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid
SMILESCC(c1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18F3NO3/c1-10(19-8-6-12(7-9-19)14(20)21)11-2-4-13(5-3-11)22-15(16,17)18/h2-5,10,12H,6-9H2,1H3,(H,20,21)
InChIKeyFEDDYTQYQGUATD-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid

1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid (PubChem CID 119907237) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid
PubChem CID119907237
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid
SMILESCC(c1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18F3NO3/c1-10(19-8-6-12(7-9-19)14(20)21)11-2-4-13(5-3-11)22-15(16,17)18/h2-5,10,12H,6-9H2,1H3,(H,20,21)
InChIKeyFEDDYTQYQGUATD-UHFFFAOYSA-N
XLogP3.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 65056333
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907916
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066703
1-(4-fluorophenyl)-3-[1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]oxyurea
CID 87275446
2-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]propanoic acid
CID 125434955
1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236319
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 4309568
1-[1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidine-4-carboxylic acid
CID 73052781
N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
CID 42927395
N-[(3S)-1-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-yl]methanesulfonamide
CID 52534042

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid (CID 119907237) is 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid is CC(c1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid?
The InChIKey is FEDDYTQYQGUATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-10(19-8-6-12(7-9-19)14(20)21)11-2-4-13(5-3-11)22-15(16,17)18/h2-5,10,12H,6-9H2,1H3,(H,20,21).
What are the key properties of 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid?
1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid has a molecular weight of 317.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).