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

C16H20F3NO4 — CID 177337432

IUPAC2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
SMILESCOC(C(=O)O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H20F3NO4/c1-23-14(15(21)22)12-6-8-20(9-7-12)10-11-2-4-13(5-3-11)24-16(17,18)19/h2-5,12,14H,6-10H2,1H3,(H,21,22)
InChIKeyOEOMOKJMSZJJOX-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.90
Rot. Bonds6

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

2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid (PubChem CID 177337432) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
PubChem CID177337432
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
SMILESCOC(C(=O)O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H20F3NO4/c1-23-14(15(21)22)12-6-8-20(9-7-12)10-11-2-4-13(5-3-11)24-16(17,18)19/h2-5,12,14H,6-10H2,1H3,(H,21,22)
InChIKeyOEOMOKJMSZJJOX-UHFFFAOYSA-N
XLogP2.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
methylamino-[3-oxo-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propyl]carbamic acid
CID 87460981
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-4-propan-2-ylpiperidine
CID 89411330
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093441
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 23373749
N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155353721

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid (CID 177337432) is 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid is COC(C(=O)O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid?
The InChIKey is OEOMOKJMSZJJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-23-14(15(21)22)12-6-8-20(9-7-12)10-11-2-4-13(5-3-11)24-16(17,18)19/h2-5,12,14H,6-10H2,1H3,(H,21,22).
What are the key properties of 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid?
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid has a molecular weight of 347.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 177337432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).