2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

C19H21ClN2O2 — CID 2931302

IUPAC2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-15(24-18-9-5-6-16(20)14-18)19(23)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3
InChIKeyIGEXCITZPKYRLD-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 2931302) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID2931302
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-15(24-18-9-5-6-16(20)14-18)19(23)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3
InChIKeyIGEXCITZPKYRLD-UHFFFAOYSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 3321756
1-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 2933143
2-(4-chloro-3-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 17308649
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17395855
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 38010558
2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 3393677
(2S)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220793
(2R)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220794

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 2931302) is 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is IGEXCITZPKYRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-15(24-18-9-5-6-16(20)14-18)19(23)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 344.84 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2931302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).