1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one

C12H14FNO2 — CID 135070206

IUPAC1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one
SMILESO=C1CCC(O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)7-14-8-11(15)5-6-12(14)16/h1-4,11,15H,5-8H2
InChIKeyMPOJSKQROSOOQH-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.31
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one

1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one (PubChem CID 135070206) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one
PubChem CID135070206
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one
SMILESO=C1CCC(O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)7-14-8-11(15)5-6-12(14)16/h1-4,11,15H,5-8H2
InChIKeyMPOJSKQROSOOQH-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorobenzyl)-4-hydroxybutanamide
CID 2811149
4-Hydroxy-1-(phenylmethyl)-2-piperidinone
CID 13610001
(3-Hydroxy-1-piperidinyl)phenylmethanone
CID 14920287
N-benzyl-1-(4-fluorobenzyl)-N-(2-hydroxyethyl)-4-piperidinecarboxamide
CID 1343462
1-Benzyl-3-hydroxypiperidin-4-one
CID 15734029
1-(3-Fluorobenzyl)piperidin-3-ol
CID 2838400
1-[(3,4-Difluorophenyl)methyl]piperidin-3-ol
CID 3439867
(S)-1-[(p-fluorophenyl)methyl]-4-(hydroxymethyl)-2-pyrrolidinone
CID 42259422
(3S,4R,5R)-1-benzyl-3,4,5-trihydroxypiperidin-2-one
CID 44566014
3-{[Benzyl(methyl)amino]methyl}-1-(4-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45168211
1-(2,3-Difluorobenzyl)-3-hydroxy-3-(1-piperidinylmethyl)-2-piperidinone
CID 45188113
1-(2,2-Dimethylpropyl)-3-{[(4-fluorobenzyl)(methyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45214632

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one (CID 135070206) is 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one is O=C1CCC(O)CN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one?
The InChIKey is MPOJSKQROSOOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)7-14-8-11(15)5-6-12(14)16/h1-4,11,15H,5-8H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one?
1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-hydroxypiperidin-2-one is sourced from PubChem (CID 135070206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).