3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one

C20H24N2O3 — CID 143559384

IUPAC3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1ccccc1Oc1cccc(CO)c1)N1CCNCC1
InChIInChI=1S/C20H24N2O3/c23-15-16-4-3-6-18(14-16)25-19-7-2-1-5-17(19)8-9-20(24)22-12-10-21-11-13-22/h1-7,14,21,23H,8-13,15H2
InChIKeyZSZGSOOVEGMZAJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.34
Rot. Bonds6

About 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one

3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one (PubChem CID 143559384) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one
PubChem CID143559384
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1ccccc1Oc1cccc(CO)c1)N1CCNCC1
InChIInChI=1S/C20H24N2O3/c23-15-16-4-3-6-18(14-16)25-19-7-2-1-5-17(19)8-9-20(24)22-12-10-21-11-13-22/h1-7,14,21,23H,8-13,15H2
InChIKeyZSZGSOOVEGMZAJ-UHFFFAOYSA-N
XLogP2.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83951681
3-[2-[3-(dimethylamino)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one;toluene
CID 143559319
3-[2-(4-chlorophenoxy)phenyl]-1-piperazin-1-ylpropan-1-one;toluene
CID 143559342
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one
CID 16752759
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 110412228
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-(1,4-diazepan-1-yl)ethanone
CID 119416917

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one (CID 143559384) is 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one is O=C(CCc1ccccc1Oc1cccc(CO)c1)N1CCNCC1.
What is the InChIKey of 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is ZSZGSOOVEGMZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-15-16-4-3-6-18(14-16)25-19-7-2-1-5-17(19)8-9-20(24)22-12-10-21-11-13-22/h1-7,14,21,23H,8-13,15H2.
What are the key properties of 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one?
3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 340.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 143559384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).