1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid

C10H14F3NO4 — CID 62032767

IUPAC1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-5-8(15)14-3-1-7(2-4-14)9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyMNTOAXHJKALRBB-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.89
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 62032767) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID62032767
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-5-8(15)14-3-1-7(2-4-14)9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyMNTOAXHJKALRBB-UHFFFAOYSA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
CID 2162839
1-[(2,2,2-Trifluoroethoxy)carbonyl]piperidine-4-carboxylic acid
CID 16227155
1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 138595309
1-(3,3,3-Trifluoro-2-hydroxy-2-methylpropanoyl)piperidine-4-carboxylic acid
CID 138595310
1-[3-(2,2,2-Trifluoroethoxy)propanoyl]piperidine-4-carboxylic acid
CID 43354147
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
CID 61490508
2-[2-Oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethoxy]acetic acid
CID 65535012
1-[2-(Trifluoromethoxy)ethyl]piperidine-4-carboxylic acid
CID 65805455
1-[2-(1,1,1-Trifluoropropan-2-yloxy)acetyl]piperidine-4-carboxylic acid
CID 66274746
1-[2-(2,2-Difluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 82004808
1-[2-(4,4,4-Trifluorobutoxy)acetyl]piperidine-4-carboxylic acid
CID 82788846
1-[2-(3,3,3-Trifluoropropoxy)acetyl]piperidine-4-carboxylic acid
CID 82956537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid (CID 62032767) is 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is MNTOAXHJKALRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c11-10(12,13)6-18-5-8(15)14-3-1-7(2-4-14)9(16)17/h7H,1-6H2,(H,16,17).
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62032767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).