2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

C16H24N2O3 — CID 43503608

IUPAC2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCC(O)c1ccccc1OCC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H24N2O3/c1-3-14(19)13-6-4-5-7-15(13)21-12-16(20)18-10-8-17(2)9-11-18/h4-7,14,19H,3,8-12H2,1-2H3
InChIKeyZVHXJAFLQGSARN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.28
Rot. Bonds5

About 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 43503608) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID43503608
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCC(O)c1ccccc1OCC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H24N2O3/c1-3-14(19)13-6-4-5-7-15(13)21-12-16(20)18-10-8-17(2)9-11-18/h4-7,14,19H,3,8-12H2,1-2H3
InChIKeyZVHXJAFLQGSARN-UHFFFAOYSA-N
XLogP1.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 61400060
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
2-(2-butan-2-ylphenoxy)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 56754034
2-[2-[(2S)-butan-2-yl]phenoxy]-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 95216348
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 39376391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (CID 43503608) is 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is CCC(O)c1ccccc1OCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZVHXJAFLQGSARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-14(19)13-6-4-5-7-15(13)21-12-16(20)18-10-8-17(2)9-11-18/h4-7,14,19H,3,8-12H2,1-2H3.
What are the key properties of 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43503608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).