2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

C19H21ClN2O3 — CID 43001973

IUPAC2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H21ClN2O3/c1-14(25-16-6-4-5-15(20)13-16)19(24)22-11-9-21(10-12-22)17-7-2-3-8-18(17)23/h2-8,13-14,23H,9-12H2,1H3
InChIKeyPRYBIHNJNXMIOZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.16
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 43001973) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID43001973
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H21ClN2O3/c1-14(25-16-6-4-5-15(20)13-16)19(24)22-11-9-21(10-12-22)17-7-2-3-8-18(17)23/h2-8,13-14,23H,9-12H2,1H3
InChIKeyPRYBIHNJNXMIOZ-UHFFFAOYSA-N
XLogP3.16
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
1-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 2933143
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 112765505
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 43001973) is 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is PRYBIHNJNXMIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-14(25-16-6-4-5-15(20)13-16)19(24)22-11-9-21(10-12-22)17-7-2-3-8-18(17)23/h2-8,13-14,23H,9-12H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 360.84 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 43001973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).