(4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one

C12H14FNO2 — CID 134943150

IUPAC(4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)[C@H](CO)CN1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-8(2-4-10)11-5-12(16)14-6-9(11)7-15/h1-4,9,11,15H,5-7H2,(H,14,16)/t9-,11-/m0/s1
InChIKeyKHIPXSSWTTYVBZ-ONGXEEELSA-N
MW223.25 g/mol
LogP1.04
Rot. Bonds2

About (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one

(4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one (PubChem CID 134943150) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one
PubChem CID134943150
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)[C@H](CO)CN1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-8(2-4-10)11-5-12(16)14-6-9(11)7-15/h1-4,9,11,15H,5-7H2,(H,14,16)/t9-,11-/m0/s1
InChIKeyKHIPXSSWTTYVBZ-ONGXEEELSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one?
The IUPAC name of (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one (CID 134943150) is (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one is O=C1C[C@@H](c2ccc(F)cc2)[C@H](CO)CN1.
What is the InChIKey of (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one?
The InChIKey is KHIPXSSWTTYVBZ-ONGXEEELSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-8(2-4-10)11-5-12(16)14-6-9(11)7-15/h1-4,9,11,15H,5-7H2,(H,14,16)/t9-,11-/m0/s1.
What are the key properties of (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one?
(4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 134943150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).