[(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate

C18H18FNO2 — CID 147745686

IUPAC[(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO2/c19-16-11-9-14(10-12-16)17-8-4-5-13-20(17)22-18(21)15-6-2-1-3-7-15/h1-3,6-7,9-12,17H,4-5,8,13H2/t17-/m0/s1
InChIKeyHBFJKLBDVIFADE-KRWDZBQOSA-N
MW299.35 g/mol
LogP4.12
Rot. Bonds3

About [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate

[(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate (PubChem CID 147745686) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate
PubChem CID147745686
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name[(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO2/c19-16-11-9-14(10-12-16)17-8-4-5-13-20(17)22-18(21)15-6-2-1-3-7-15/h1-3,6-7,9-12,17H,4-5,8,13H2/t17-/m0/s1
InChIKeyHBFJKLBDVIFADE-KRWDZBQOSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate?
The IUPAC name of [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate (CID 147745686) is [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate is O=C(ON1CCCC[C@H]1c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate?
The InChIKey is HBFJKLBDVIFADE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-11-9-14(10-12-16)17-8-4-5-13-20(17)22-18(21)15-6-2-1-3-7-15/h1-3,6-7,9-12,17H,4-5,8,13H2/t17-/m0/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate?
[(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate has a molecular weight of 299.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)piperidin-1-yl] benzoate is sourced from PubChem (CID 147745686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).