2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid

C9H14F3NO4 — CID 70060753

IUPAC2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCCCC1
InChIInChI=1S/C7H13NO2.C2HF3O2/c9-7(10)6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-6H2,(H,9,10);(H,6,7)
InChIKeyHXTWDQRDLDGVQU-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.19
Rot. Bonds2

About 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid

2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid (PubChem CID 70060753) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid
PubChem CID70060753
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCCCC1
InChIInChI=1S/C7H13NO2.C2HF3O2/c9-7(10)6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-6H2,(H,9,10);(H,6,7)
InChIKeyHXTWDQRDLDGVQU-UHFFFAOYSA-N
XLogP1.19
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidin-1-yl-acetic acid
CID 201097
2-(4-(Trifluoromethyl)piperidin-1-yl)acetic acid
CID 65536486
2-[4-(Trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride
CID 71757984
1-Methylpiperidine;2,2,2-trifluoroacetic acid
CID 12593400
1-Ethylpiperidine;2,2,2-trifluoroacetic acid
CID 22623625
2-(2,2,3,3,4,4,5,5,6,6-Decafluoropiperidin-1-yl)acetic acid
CID 23370829
Potassium 2,2-difluoro-2-piperidin-1-ylacetate
CID 23717379
2-(3-(Trifluoromethyl)piperidin-1-yl)acetic acid
CID 60712638
1-Piperidineacetic acid, 4,4-difluoro-, methyl ester
CID 67047003
Piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67159791
2-(4-Fluoropiperidin-1-yl)acetic acid
CID 73554114
2-(4,4-Difluoropiperidin-1-yl)acetic acid
CID 84614619

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid (CID 70060753) is 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is HXTWDQRDLDGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2HF3O2/c9-7(10)6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-6H2,(H,9,10);(H,6,7).
What are the key properties of 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid?
2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 257.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70060753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).