2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid

C14H16F3NO2 — CID 54369947

IUPAC2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-6-4-10(5-7-11)12-3-1-2-8-18(12)9-13(19)20/h4-7,12H,1-3,8-9H2,(H,19,20)
InChIKeyUSLNVDBGRNBIBC-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.32
Rot. Bonds3

About 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid

2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid (PubChem CID 54369947) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid
PubChem CID54369947
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-6-4-10(5-7-11)12-3-1-2-8-18(12)9-13(19)20/h4-7,12H,1-3,8-9H2,(H,19,20)
InChIKeyUSLNVDBGRNBIBC-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dibenzylamino)acetic acid
CID 174082
(4-Benzhydryl-piperazin-1-yl)-acetic acid
CID 4741586
2-(4-Phenylpiperidin-1-yl)acetic acid
CID 1089052
1-hexyl-N-[(4-methylphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536500
1-hexyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536504
2-((r)-2-Methyl-4-((r)-phenyl(3-(trifluoromethyl)phenyl)methyl)piperazin-1-yl)acetic acid
CID 25063368
1-[(3-Fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3939326
Benzyl-N-methyl-L-alanine
CID 825998
2-(4-Benzylpiperazin-1-yl)acetic acid dihydrochloride
CID 18593173
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-hexylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536490
(4-Benzyl-piperazin-1-yl)-acetic acid
CID 1402890
2-((r)-4-(Cyclopropyl(3-(trifluoromethyl)phenyl)methyl)-2-methylpiperazin-1-yl)acetic acid
CID 57682603

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid (CID 54369947) is 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCCCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid?
The InChIKey is USLNVDBGRNBIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)11-6-4-10(5-7-11)12-3-1-2-8-18(12)9-13(19)20/h4-7,12H,1-3,8-9H2,(H,19,20).
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid?
2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 54369947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).