1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

C15H22N2O2 — CID 43416163

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-13-2-4-14(5-3-13)12-15(19)17-8-6-16(7-9-17)10-11-18/h2-5,18H,6-12H2,1H3
InChIKeyWXCQQYNGLVVKJR-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.67
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 43416163) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID43416163
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-13-2-4-14(5-3-13)12-15(19)17-8-6-16(7-9-17)10-11-18/h2-5,18H,6-12H2,1H3
InChIKeyWXCQQYNGLVVKJR-UHFFFAOYSA-N
XLogP0.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666254
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethanone
CID 80665628
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 43501406
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 43390899
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-(4-sulfanylphenyl)ethanone
CID 107226666
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-pyridin-4-ylethanone
CID 63308156
4-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzonitrile
CID 107223052
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110804247
2-(3-bromo-4-fluorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 71939675

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 43416163) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is WXCQQYNGLVVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13-2-4-14(5-3-13)12-15(19)17-8-6-16(7-9-17)10-11-18/h2-5,18H,6-12H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 43416163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).