4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid

C12H22FN3O2 — CID 123782749

IUPAC4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCN(CCF)CC2)CC1
InChIInChI=1S/C12H22FN3O2/c13-3-6-14-7-9-15(10-8-14)11-1-4-16(5-2-11)12(17)18/h11H,1-10H2,(H,17,18)
InChIKeyQGOSREDZJVYPRE-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.72
Rot. Bonds3

About 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid

4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid (PubChem CID 123782749) has the molecular formula C12H22FN3O2 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
PubChem CID123782749
Molecular FormulaC12H22FN3O2
Molecular Weight259.32 g/mol
Exact Mass259.17
IUPAC Name4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCN(CCF)CC2)CC1
InChIInChI=1S/C12H22FN3O2/c13-3-6-14-7-9-15(10-8-14)11-1-4-16(5-2-11)12(17)18/h11H,1-10H2,(H,17,18)
InChIKeyQGOSREDZJVYPRE-UHFFFAOYSA-N
XLogP0.72
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid (CID 123782749) is 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(N2CCN(CCF)CC2)CC1.
What is the InChIKey of 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid?
The InChIKey is QGOSREDZJVYPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3O2/c13-3-6-14-7-9-15(10-8-14)11-1-4-16(5-2-11)12(17)18/h11H,1-10H2,(H,17,18).
What are the key properties of 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid?
4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 259.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 123782749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).