3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid

C10H17FN2O3 — CID 142784571

IUPAC3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCOCC2)C(F)C1
InChIInChI=1S/C10H17FN2O3/c11-8-7-13(10(14)15)2-1-9(8)12-3-5-16-6-4-12/h8-9H,1-7H2,(H,14,15)
InChIKeyBLMOYZHNEAJDCM-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.41
Rot. Bonds1

About 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid

3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid (PubChem CID 142784571) has the molecular formula C10H17FN2O3 and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid
PubChem CID142784571
Molecular FormulaC10H17FN2O3
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCOCC2)C(F)C1
InChIInChI=1S/C10H17FN2O3/c11-8-7-13(10(14)15)2-1-9(8)12-3-5-16-6-4-12/h8-9H,1-7H2,(H,14,15)
InChIKeyBLMOYZHNEAJDCM-UHFFFAOYSA-N
XLogP0.41
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
(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
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63550050
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
2-morpholin-4-ylcyclopropane-1-carboxylic acid
CID 117029758
4-(azetidin-1-yl)-3-carbamoylpiperidine-1-carboxylic acid
CID 68728558

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid (CID 142784571) is 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid is O=C(O)N1CCC(N2CCOCC2)C(F)C1.
What is the InChIKey of 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid?
The InChIKey is BLMOYZHNEAJDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O3/c11-8-7-13(10(14)15)2-1-9(8)12-3-5-16-6-4-12/h8-9H,1-7H2,(H,14,15).
What are the key properties of 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid?
3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid has a molecular weight of 232.25 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 142784571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).