1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one

C19H21ClN2O2 — CID 18161263

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O2/c1-15(24-16-7-3-2-4-8-16)19(23)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20/h2-10,15H,11-14H2,1H3
InChIKeyOMMZOZJCUWZCMP-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.46
Rot. Bonds4

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one (PubChem CID 18161263) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
PubChem CID18161263
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O2/c1-15(24-16-7-3-2-4-8-16)19(23)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20/h2-10,15H,11-14H2,1H3
InChIKeyOMMZOZJCUWZCMP-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

(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 43982507
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
(2R)-2-phenoxy-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93477996
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 18545021
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one (CID 18161263) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is OMMZOZJCUWZCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-15(24-16-7-3-2-4-8-16)19(23)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one?
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-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 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 18161263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).