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

C15H22N2O2 — CID 3328297

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-13-2-4-14(5-3-13)15(19)12-17-8-6-16(7-9-17)10-11-18/h2-5,18H,6-12H2,1H3
InChIKeyCQSCBSHUUMPOEZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.79
Rot. Bonds5

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone (PubChem CID 3328297) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
PubChem CID3328297
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-13-2-4-14(5-3-13)15(19)12-17-8-6-16(7-9-17)10-11-18/h2-5,18H,6-12H2,1H3
InChIKeyCQSCBSHUUMPOEZ-UHFFFAOYSA-N
XLogP0.79
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223659
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile
CID 62025688
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-(3-methylphenyl)ethanone
CID 107223640
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
1-(3,4-dihydroxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 163483598
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone (CID 3328297) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone?
The InChIKey is CQSCBSHUUMPOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13-2-4-14(5-3-13)15(19)12-17-8-6-16(7-9-17)10-11-18/h2-5,18H,6-12H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 3328297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).