3-fluoro-4-(methylamino)piperidine-1-carboxylic acid

C7H13FN2O2 — CID 91177014

IUPAC3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
SMILESCNC1CCN(C(=O)O)CC1F
InChIInChI=1S/C7H13FN2O2/c1-9-6-2-3-10(7(11)12)4-5(6)8/h5-6,9H,2-4H2,1H3,(H,11,12)
InChIKeyBVCFQVZXMYXCGV-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.30
Rot. Bonds1

About 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid

3-fluoro-4-(methylamino)piperidine-1-carboxylic acid (PubChem CID 91177014) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
PubChem CID91177014
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
SMILESCNC1CCN(C(=O)O)CC1F
InChIInChI=1S/C7H13FN2O2/c1-9-6-2-3-10(7(11)12)4-5(6)8/h5-6,9H,2-4H2,1H3,(H,11,12)
InChIKeyBVCFQVZXMYXCGV-UHFFFAOYSA-N
XLogP0.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate
CID 124547561
(3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylic acid
CID 135329022
(3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid
CID 135329024
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate
CID 170194480
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid (CID 91177014) is 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid is CNC1CCN(C(=O)O)CC1F.
What is the InChIKey of 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid?
The InChIKey is BVCFQVZXMYXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c1-9-6-2-3-10(7(11)12)4-5(6)8/h5-6,9H,2-4H2,1H3,(H,11,12).
What are the key properties of 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid?
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid has a molecular weight of 176.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 91177014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).