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

C21H22F3NO2 — CID 142785198

IUPAC2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Cc2ccc(C(F)(F)F)cc2-c2ccccc2)CC1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)18-7-6-17(19(13-18)16-4-2-1-3-5-16)12-15-8-10-25(11-9-15)14-20(26)27/h1-7,13,15H,8-12,14H2,(H,26,27)
InChIKeyAOLZUCLFYJKVRV-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.71
Rot. Bonds5

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

2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid (PubChem CID 142785198) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid
PubChem CID142785198
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Cc2ccc(C(F)(F)F)cc2-c2ccccc2)CC1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)18-7-6-17(19(13-18)16-4-2-1-3-5-16)12-15-8-10-25(11-9-15)14-20(26)27/h1-7,13,15H,8-12,14H2,(H,26,27)
InChIKeyAOLZUCLFYJKVRV-UHFFFAOYSA-N
XLogP4.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid
CID 68773919
2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride
CID 154749832
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417
2-phenyl-4-(trifluoromethyl)benzenesulfinic acid
CID 174890866
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712
3-(4-benzylpiperidine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)quinolin-4-one
CID 30133681
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
2-(4-benzylpiperidin-1-yl)-N-[5-oxo-11-[3-(trifluoromethyl)phenyl]-1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraen-7-yl]acetamide
CID 139887245
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid (CID 142785198) is 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(Cc2ccc(C(F)(F)F)cc2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid?
The InChIKey is AOLZUCLFYJKVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c22-21(23,24)18-7-6-17(19(13-18)16-4-2-1-3-5-16)12-15-8-10-25(11-9-15)14-20(26)27/h1-7,13,15H,8-12,14H2,(H,26,27).
What are the key properties of 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid?
2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid has a molecular weight of 377.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 142785198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).