3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid

C10H18FNO2 — CID 105455416

IUPAC3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid
SMILESCN1CCC(C(C)(F)CC(=O)O)CC1
InChIInChI=1S/C10H18FNO2/c1-10(11,7-9(13)14)8-3-5-12(2)6-4-8/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyNWBFXBOHBUQQOQ-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.53
Rot. Bonds3

About 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid

3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid (PubChem CID 105455416) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid
PubChem CID105455416
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid
SMILESCN1CCC(C(C)(F)CC(=O)O)CC1
InChIInChI=1S/C10H18FNO2/c1-10(11,7-9(13)14)8-3-5-12(2)6-4-8/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyNWBFXBOHBUQQOQ-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid?
The IUPAC name of 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid (CID 105455416) is 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid?
The canonical SMILES for 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid is CN1CCC(C(C)(F)CC(=O)O)CC1.
What is the InChIKey of 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid?
The InChIKey is NWBFXBOHBUQQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(11,7-9(13)14)8-3-5-12(2)6-4-8/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid?
3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid has a molecular weight of 203.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1-methylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 105455416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).