(4-fluoropiperidin-1-yl) benzoate

C12H14FNO2 — CID 126455138

IUPAC(4-fluoropiperidin-1-yl) benzoate
SMILESO=C(ON1CCC(F)CC1)c1ccccc1
InChIInChI=1S/C12H14FNO2/c13-11-6-8-14(9-7-11)16-12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyUWCJQXPVPRMFPU-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.19
Rot. Bonds2

About (4-fluoropiperidin-1-yl) benzoate

(4-fluoropiperidin-1-yl) benzoate (PubChem CID 126455138) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl) benzoate.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl) benzoate
PubChem CID126455138
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4-fluoropiperidin-1-yl) benzoate
SMILESO=C(ON1CCC(F)CC1)c1ccccc1
InChIInChI=1S/C12H14FNO2/c13-11-6-8-14(9-7-11)16-12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyUWCJQXPVPRMFPU-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl) benzoate?
The IUPAC name of (4-fluoropiperidin-1-yl) benzoate (CID 126455138) is (4-fluoropiperidin-1-yl) benzoate.
What is the SMILES notation for (4-fluoropiperidin-1-yl) benzoate?
The canonical SMILES for (4-fluoropiperidin-1-yl) benzoate is O=C(ON1CCC(F)CC1)c1ccccc1.
What is the InChIKey of (4-fluoropiperidin-1-yl) benzoate?
The InChIKey is UWCJQXPVPRMFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-6-8-14(9-7-11)16-12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of (4-fluoropiperidin-1-yl) benzoate?
(4-fluoropiperidin-1-yl) benzoate has a molecular weight of 223.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl) benzoate is sourced from PubChem (CID 126455138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).