1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone

C14H21N3O2 — CID 102546381

IUPAC1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CCO)c(C)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-11-13(5-10-18)3-4-14(15-11)17-8-6-16(7-9-17)12(2)19/h3-4,18H,5-10H2,1-2H3
InChIKeyXFJZCGQOSLKJTE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.59
Rot. Bonds3

About 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 102546381) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID102546381
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CCO)c(C)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-11-13(5-10-18)3-4-14(15-11)17-8-6-16(7-9-17)12(2)19/h3-4,18H,5-10H2,1-2H3
InChIKeyXFJZCGQOSLKJTE-UHFFFAOYSA-N
XLogP0.59
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546243
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 79020981
1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502587
2-[6-(2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546514
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 82331726
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]ethanone
CID 83536152
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82331730
N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79884994
2-(6-chloro-2-methyl-3-pyridinyl)ethanol
CID 87555750
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]acetohydrazide
CID 44538060

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone (CID 102546381) is 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(CCO)c(C)n2)CC1.
What is the InChIKey of 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is XFJZCGQOSLKJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-13(5-10-18)3-4-14(15-11)17-8-6-16(7-9-17)12(2)19/h3-4,18H,5-10H2,1-2H3.
What are the key properties of 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 102546381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).