3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid

C8H14FNO3 — CID 156538627

IUPAC3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
SMILESCC1(O)CCN(C(=O)O)CC1(C)F
InChIInChI=1S/C8H14FNO3/c1-7(9)5-10(6(11)12)4-3-8(7,2)13/h13H,3-5H2,1-2H3,(H,11,12)
InChIKeyBTGAWSMYDOFOIG-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.85
Rot. Bonds

About 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid

3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid (PubChem CID 156538627) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
PubChem CID156538627
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
SMILESCC1(O)CCN(C(=O)O)CC1(C)F
InChIInChI=1S/C8H14FNO3/c1-7(9)5-10(6(11)12)4-3-8(7,2)13/h13H,3-5H2,1-2H3,(H,11,12)
InChIKeyBTGAWSMYDOFOIG-UHFFFAOYSA-N
XLogP0.85
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid
CID 139347170
3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 167720791
4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
CID 67299829
3-hydroxy-3-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylic acid
CID 90992619
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
CID 82411727
4-(bromomethyl)-4-fluoropiperidine-1-carboxylic acid
CID 161175898

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid (CID 156538627) is 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid is CC1(O)CCN(C(=O)O)CC1(C)F.
What is the InChIKey of 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid?
The InChIKey is BTGAWSMYDOFOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-7(9)5-10(6(11)12)4-3-8(7,2)13/h13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid?
3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid has a molecular weight of 191.20 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 156538627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).