(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one

C12H14FNO — CID 124592992

IUPAC(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C12H14FNO/c13-11-5-1-3-9(8-11)7-10-4-2-6-14-12(10)15/h1,3,5,8,10H,2,4,6-7H2,(H,14,15)/t10-/m1/s1
InChIKeyHRLJDIARJCRORV-SNVBAGLBSA-N
MW207.25 g/mol
LogP1.89
Rot. Bonds2

About (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one

(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one (PubChem CID 124592992) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
PubChem CID124592992
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C12H14FNO/c13-11-5-1-3-9(8-11)7-10-4-2-6-14-12(10)15/h1,3,5,8,10H,2,4,6-7H2,(H,14,15)/t10-/m1/s1
InChIKeyHRLJDIARJCRORV-SNVBAGLBSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one?
The IUPAC name of (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one (CID 124592992) is (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one is O=C1NCCC[C@@H]1Cc1cccc(F)c1.
What is the InChIKey of (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one?
The InChIKey is HRLJDIARJCRORV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-5-1-3-9(8-11)7-10-4-2-6-14-12(10)15/h1,3,5,8,10H,2,4,6-7H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one?
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one has a molecular weight of 207.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 124592992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).