methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate

C9H16FNO2 — CID 80602594

IUPACmethyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCF
InChIInChI=1S/C9H16FNO2/c1-13-9(12)8-4-2-3-6-11(8)7-5-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyRFOZKHIKPDVTBQ-MRVPVSSYSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds3

About methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate

methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate (PubChem CID 80602594) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
PubChem CID80602594
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namemethyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCF
InChIInChI=1S/C9H16FNO2/c1-13-9(12)8-4-2-3-6-11(8)7-5-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyRFOZKHIKPDVTBQ-MRVPVSSYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
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methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate
CID 104891377
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
CID 54569237

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate (CID 80602594) is methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CCF.
What is the InChIKey of methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate?
The InChIKey is RFOZKHIKPDVTBQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-13-9(12)8-4-2-3-6-11(8)7-5-10/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate?
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate has a molecular weight of 189.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate is sourced from PubChem (CID 80602594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).