2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone

C13H18N2O3 — CID 63653956

IUPAC2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
SMILESO=C(COc1ccccc1CO)N1CCNCC1
InChIInChI=1S/C13H18N2O3/c16-9-11-3-1-2-4-12(11)18-10-13(17)15-7-5-14-6-8-15/h1-4,14,16H,5-10H2
InChIKeyFFZXPJWNPMAKKI-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.01
Rot. Bonds4

About 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone

2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone (PubChem CID 63653956) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
PubChem CID63653956
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
SMILESO=C(COc1ccccc1CO)N1CCNCC1
InChIInChI=1S/C13H18N2O3/c16-9-11-3-1-2-4-12(11)18-10-13(17)15-7-5-14-6-8-15/h1-4,14,16H,5-10H2
InChIKeyFFZXPJWNPMAKKI-UHFFFAOYSA-N
XLogP-0.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891889
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone
CID 103044837
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
2-(3-chloro-2-methylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119418195
2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119401188
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
CID 82509255
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone (CID 63653956) is 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone is O=C(COc1ccccc1CO)N1CCNCC1.
What is the InChIKey of 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone?
The InChIKey is FFZXPJWNPMAKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-9-11-3-1-2-4-12(11)18-10-13(17)15-7-5-14-6-8-15/h1-4,14,16H,5-10H2.
What are the key properties of 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone?
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone has a molecular weight of 250.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone is sourced from PubChem (CID 63653956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).