2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one

C17H20ClN3O2 — CID 82017846

IUPAC2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one
SMILESCn1cc(O)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H20ClN3O2/c1-19-12-17(23)16(22)10-13(19)11-20-6-8-21(9-7-20)15-5-3-2-4-14(15)18/h2-5,10,12,23H,6-9,11H2,1H3
InChIKeyTXCVWCOWNGWIBO-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.07
Rot. Bonds3

About 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one

2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one (PubChem CID 82017846) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one
PubChem CID82017846
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one
SMILESCn1cc(O)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H20ClN3O2/c1-19-12-17(23)16(22)10-13(19)11-20-6-8-21(9-7-20)15-5-3-2-4-14(15)18/h2-5,10,12,23H,6-9,11H2,1H3
InChIKeyTXCVWCOWNGWIBO-UHFFFAOYSA-N
XLogP2.07
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrole-2-carboxylic acid
CID 134499385
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
3-(2-chlorophenyl)-8-(4-methylpiperazin-1-yl)-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one
CID 139668286
7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 15431691
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088491
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
CID 27156309
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-2-methyl-4-phenylpiperazin-1-yl]methanone
CID 134498311
2,4-dibromo-3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 18403837
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2464194

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one?
The IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one (CID 82017846) is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one?
The canonical SMILES for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one is Cn1cc(O)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one?
The InChIKey is TXCVWCOWNGWIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-19-12-17(23)16(22)10-13(19)11-20-6-8-21(9-7-20)15-5-3-2-4-14(15)18/h2-5,10,12,23H,6-9,11H2,1H3.
What are the key properties of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one?
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one has a molecular weight of 333.82 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-hydroxy-1-methylpyridin-4-one is sourced from PubChem (CID 82017846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).