methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate

C8H14FNO3 — CID 130711152

IUPACmethyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(F)(CO)C1
InChIInChI=1S/C8H14FNO3/c1-13-7(12)10-4-2-3-8(9,5-10)6-11/h11H,2-6H2,1H3
InChIKeyTYGSRBQHOFGHAU-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.55
Rot. Bonds1

About methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate

methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 130711152) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID130711152
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Namemethyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(F)(CO)C1
InChIInChI=1S/C8H14FNO3/c1-13-7(12)10-4-2-3-8(9,5-10)6-11/h11H,2-6H2,1H3
InChIKeyTYGSRBQHOFGHAU-UHFFFAOYSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
CID 123683302
CID 123683302
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
methyl 3-(ethylaminomethyl)-3-hydroxypiperidine-1-carboxylate
CID 14578462
methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate
CID 175259340
tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate
CID 126738763
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
methyl 3,3,4,4-tetrafluoropyrrolidine-1-carboxylate
CID 126987071
methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
CID 170710981
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate (CID 130711152) is methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate is COC(=O)N1CCCC(F)(CO)C1.
What is the InChIKey of methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is TYGSRBQHOFGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-13-7(12)10-4-2-3-8(9,5-10)6-11/h11H,2-6H2,1H3.
What are the key properties of methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate?
methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 191.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 130711152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).