2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid

C8H14FNO2 — CID 83816582

IUPAC2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
SMILESCN1CCCC(F)(CC(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-10-4-2-3-8(9,6-10)5-7(11)12/h2-6H2,1H3,(H,11,12)
InChIKeyLLLPZMGLGCMIHI-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.89
Rot. Bonds2

About 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid

2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid (PubChem CID 83816582) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
PubChem CID83816582
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
SMILESCN1CCCC(F)(CC(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-10-4-2-3-8(9,6-10)5-7(11)12/h2-6H2,1H3,(H,11,12)
InChIKeyLLLPZMGLGCMIHI-UHFFFAOYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428
2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 83821336
3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine
CID 155238211
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299
2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid
CID 167720226
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane
CID 178173613
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
CID 115037342
2-(3-amino-1-methylpiperidin-3-yl)acetate
CID 86649846

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid (CID 83816582) is 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid is CN1CCCC(F)(CC(=O)O)C1.
What is the InChIKey of 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid?
The InChIKey is LLLPZMGLGCMIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-10-4-2-3-8(9,6-10)5-7(11)12/h2-6H2,1H3,(H,11,12).
What are the key properties of 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid?
2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid has a molecular weight of 175.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 83816582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).