2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone

C19H21F2N3O2 — CID 118378359

IUPAC2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1ncc(CO)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1
InChIInChI=1S/C19H21F2N3O2/c1-12-22-10-14(11-25)19(23-12)13-5-7-24(8-6-13)18(26)9-15-16(20)3-2-4-17(15)21/h2-4,10,13,25H,5-9,11H2,1H3
InChIKeyRILWYPODXIZTOG-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.50
Rot. Bonds4

About 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone

2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 118378359) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID118378359
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1ncc(CO)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1
InChIInChI=1S/C19H21F2N3O2/c1-12-22-10-14(11-25)19(23-12)13-5-7-24(8-6-13)18(26)9-15-16(20)3-2-4-17(15)21/h2-4,10,13,25H,5-9,11H2,1H3
InChIKeyRILWYPODXIZTOG-UHFFFAOYSA-N
XLogP2.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{3-[2-(4-Fluorophenyl)-4-pyrimidinyl]piperidino}-1-propanone
CID 53137676
1-{3-[2-(3-Fluorophenyl)-4-pyrimidinyl]piperidino}-1-ethanone
CID 53013968
1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 53014109
4-[1-(2,6-Difluorobenzoyl)piperidin-3-yl]-2-phenylpyrimidine
CID 53137573
4-{1-[(3-Fluorophenyl)acetyl]piperidin-3-yl}-2-(3-methylphenyl)pyrimidine
CID 53137593
Cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660
2-Ethyl-1-{3-[2-(4-fluorophenyl)pyrimidin-4-YL]piperidin-1-YL}butan-1-one
CID 53137663
4-(1-Cyclobutanecarbonylpiperidin-3-YL)-2-(4-fluorophenyl)pyrimidine
CID 53137667
4-[1-(2,6-Difluorobenzoyl)piperidin-3-yl]-2-(4-fluorophenyl)pyrimidine
CID 53137672
1-[3-[2-(4-Fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 53137677
2-(4-Fluorophenyl)-4-(1-isobutyrylpiperidin-3-yl)pyrimidine
CID 53137678
Cyclohexyl{3-[2-(3-fluorophenyl)-4-pyrimidinyl]piperidino}methanone
CID 53137683

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone (CID 118378359) is 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone is Cc1ncc(CO)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is RILWYPODXIZTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-12-22-10-14(11-25)19(23-12)13-5-7-24(8-6-13)18(26)9-15-16(20)3-2-4-17(15)21/h2-4,10,13,25H,5-9,11H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 361.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118378359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).