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

C7H12FNO2 — CID 87324536

IUPAC3-fluoro-4-methylpiperidine-1-carboxylic acid
SMILESCC1CCN(C(=O)O)CC1F
InChIInChI=1S/C7H12FNO2/c1-5-2-3-9(7(10)11)4-6(5)8/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyNTHHWIJNKAQWCF-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.34
Rot. Bonds

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

3-fluoro-4-methylpiperidine-1-carboxylic acid (PubChem CID 87324536) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-fluoro-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-methylpiperidine-1-carboxylic acid
PubChem CID87324536
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name3-fluoro-4-methylpiperidine-1-carboxylic acid
SMILESCC1CCN(C(=O)O)CC1F
InChIInChI=1S/C7H12FNO2/c1-5-2-3-9(7(10)11)4-6(5)8/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyNTHHWIJNKAQWCF-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 130635409
azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 130747930
3-carbonochloridoyl-4-methylpiperidine-1-carboxylic acid
CID 91451073
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368050
3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid
CID 142784571

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-methylpiperidine-1-carboxylic acid (CID 87324536) is 3-fluoro-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-methylpiperidine-1-carboxylic acid is CC1CCN(C(=O)O)CC1F.
What is the InChIKey of 3-fluoro-4-methylpiperidine-1-carboxylic acid?
The InChIKey is NTHHWIJNKAQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5-2-3-9(7(10)11)4-6(5)8/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-fluoro-4-methylpiperidine-1-carboxylic acid?
3-fluoro-4-methylpiperidine-1-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 87324536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).