3-fluoro-1-methylpiperidine-4-carboxylic acid

C7H12FNO2 — CID 83854511

IUPAC3-fluoro-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)C(F)C1
InChIInChI=1S/C7H12FNO2/c1-9-3-2-5(7(10)11)6(8)4-9/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyBENDRIZGZUQVEQ-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.36
Rot. Bonds1

About 3-fluoro-1-methylpiperidine-4-carboxylic acid

3-fluoro-1-methylpiperidine-4-carboxylic acid (PubChem CID 83854511) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-fluoro-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-methylpiperidine-4-carboxylic acid
PubChem CID83854511
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name3-fluoro-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)C(F)C1
InChIInChI=1S/C7H12FNO2/c1-9-3-2-5(7(10)11)6(8)4-9/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyBENDRIZGZUQVEQ-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-methyl-3-(trifluoromethyl)piperidine-4-carboxylic acid
CID 171400769
3-(2,2-difluoroethyl)-1-methylpiperidine-4-carboxylic acid
CID 115025039
1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid
CID 83916937
2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 84766894
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1,3-dimethylpiperidine-4-carboxamide;ethane
CID 166075774
5-ethyl-1-methylazepane-4-carboxylic acid
CID 84769802
4-(ethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83847043
(3S)-3-fluoro-4-iodo-1-methylpiperidine
CID 167016263
5-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 83848967
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
acetic acid;1-methylpyrrolidine-3-thiol
CID 88601172

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 3-fluoro-1-methylpiperidine-4-carboxylic acid (CID 83854511) is 3-fluoro-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-1-methylpiperidine-4-carboxylic acid is CN1CCC(C(=O)O)C(F)C1.
What is the InChIKey of 3-fluoro-1-methylpiperidine-4-carboxylic acid?
The InChIKey is BENDRIZGZUQVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-9-3-2-5(7(10)11)6(8)4-9/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-fluoro-1-methylpiperidine-4-carboxylic acid?
3-fluoro-1-methylpiperidine-4-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 83854511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).