2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid

C11H16F3NO6 — CID 175085682

IUPAC2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESCOC(=O)C1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15NO4.C2HF3O2/c1-14-9(13)7-2-4-10(5-3-7)6-8(11)12;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,11,12);(H,6,7)
InChIKeyIYKNOEHPKWAXMU-UHFFFAOYSA-N
MW315.24 g/mol
LogP0.59
Rot. Bonds3

About 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid

2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 175085682) has the molecular formula C11H16F3NO6 and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID175085682
Molecular FormulaC11H16F3NO6
Molecular Weight315.24 g/mol
Exact Mass315.09
IUPAC Name2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESCOC(=O)C1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15NO4.C2HF3O2/c1-14-9(13)7-2-4-10(5-3-7)6-8(11)12;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,11,12);(H,6,7)
InChIKeyIYKNOEHPKWAXMU-UHFFFAOYSA-N
XLogP0.59
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
2-(4-(Ethoxycarbonyl)piperidin-1-yl)acetic acid
CID 52903749
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
Methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate
CID 43509539
Methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 296033
[4-(Ethoxycarbonyl)piperidin-1-yl]acetic acid hydrochloride
CID 71778948
Ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylate
CID 3511335
Methyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 18071331
Ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 19622894
Ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
Methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 60690089
Ethyl 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylate
CID 67263556

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid (CID 175085682) is 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid is COC(=O)C1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is IYKNOEHPKWAXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4.C2HF3O2/c1-14-9(13)7-2-4-10(5-3-7)6-8(11)12;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,11,12);(H,6,7).
What are the key properties of 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid?
2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 315.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycarbonylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175085682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).