3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C18H22FN3O2 — CID 22248430

IUPAC3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(C(O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H22FN3O2/c19-15-4-2-1-3-14(15)11-17(23)13-5-9-22(10-6-13)12-16-18(24)21-8-7-20-16/h1-4,7-8,13,17,23H,5-6,9-12H2,(H,21,24)
InChIKeyDSJRXEBHUQVNDI-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.72
Rot. Bonds5

About 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22248430) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22248430
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(C(O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H22FN3O2/c19-15-4-2-1-3-14(15)11-17(23)13-5-9-22(10-6-13)12-16-18(24)21-8-7-20-16/h1-4,7-8,13,17,23H,5-6,9-12H2,(H,21,24)
InChIKeyDSJRXEBHUQVNDI-UHFFFAOYSA-N
XLogP1.72
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[2-(2-fluorophenyl)-1-nitrosoethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 90806834
3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248546
3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22247962
3-[[3-[(2-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid
CID 22248542
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248249
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50950341
3-[[4-[2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 67047297
methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate
CID 22248539
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248535
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]benzoic acid
CID 77097741
acetylene;3-[[4-[(3Z,5Z)-octa-1,3,5-trien-2-yl]azepan-1-yl]methyl]-1H-pyrazin-2-one
CID 142816460

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22248430) is 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1CN1CCC(C(O)Cc2ccccc2F)CC1.
What is the InChIKey of 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is DSJRXEBHUQVNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-15-4-2-1-3-14(15)11-17(23)13-5-9-22(10-6-13)12-16-18(24)21-8-7-20-16/h1-4,7-8,13,17,23H,5-6,9-12H2,(H,21,24).
What are the key properties of 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 331.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22248430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).