1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one

C16H23FN2O3 — CID 56715410

IUPAC1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one
SMILESCN(CCO)CC1(O)CCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H23FN2O3/c1-18(9-10-20)12-16(22)7-4-8-19(15(16)21)11-13-5-2-3-6-14(13)17/h2-3,5-6,20,22H,4,7-12H2,1H3
InChIKeyFNQSZAYZOVEISP-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.60
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one (PubChem CID 56715410) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one
PubChem CID56715410
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one
SMILESCN(CCO)CC1(O)CCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H23FN2O3/c1-18(9-10-20)12-16(22)7-4-8-19(15(16)21)11-13-5-2-3-6-14(13)17/h2-3,5-6,20,22H,4,7-12H2,1H3
InChIKeyFNQSZAYZOVEISP-UHFFFAOYSA-N
XLogP0.60
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one (CID 56715410) is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one is CN(CCO)CC1(O)CCCN(Cc2ccccc2F)C1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one?
The InChIKey is FNQSZAYZOVEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-18(9-10-20)12-16(22)7-4-8-19(15(16)21)11-13-5-2-3-6-14(13)17/h2-3,5-6,20,22H,4,7-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one?
1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one has a molecular weight of 310.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 56715410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).