(3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid

C8H14FNO2 — CID 88574587

IUPAC(3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCF)C1
InChIInChI=1S/C8H14FNO2/c9-3-5-10-4-1-2-7(6-10)8(11)12/h7H,1-6H2,(H,11,12)/t7-/m1/s1
InChIKeyDOCIRACHYSUNNS-SSDOTTSWSA-N
MW175.20 g/mol
LogP0.75
Rot. Bonds3

About (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid

(3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid (PubChem CID 88574587) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid
PubChem CID88574587
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCF)C1
InChIInChI=1S/C8H14FNO2/c9-3-5-10-4-1-2-7(6-10)8(11)12/h7H,1-6H2,(H,11,12)/t7-/m1/s1
InChIKeyDOCIRACHYSUNNS-SSDOTTSWSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid (CID 88574587) is (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCF)C1.
What is the InChIKey of (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid?
The InChIKey is DOCIRACHYSUNNS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-3-5-10-4-1-2-7(6-10)8(11)12/h7H,1-6H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid?
(3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid has a molecular weight of 175.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluoroethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 88574587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).