4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid

C9H14FNO3 — CID 121200833

IUPAC4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(F)CC1
InChIInChI=1S/C9H14FNO3/c10-7-3-5-11(6-4-7)8(12)1-2-9(13)14/h7H,1-6H2,(H,13,14)
InChIKeyUCVYHIHJSOWBGR-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.81
Rot. Bonds3

About 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid

4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 121200833) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid
PubChem CID121200833
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Name4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(F)CC1
InChIInChI=1S/C9H14FNO3/c10-7-3-5-11(6-4-7)8(12)1-2-9(13)14/h7H,1-6H2,(H,13,14)
InChIKeyUCVYHIHJSOWBGR-UHFFFAOYSA-N
XLogP0.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid (CID 121200833) is 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC(F)CC1.
What is the InChIKey of 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is UCVYHIHJSOWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3/c10-7-3-5-11(6-4-7)8(12)1-2-9(13)14/h7H,1-6H2,(H,13,14).
What are the key properties of 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid?
4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 203.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 121200833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).